data_18385 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18385 _Entry.Title ; Characterization of the chromoshadow domain-mediated binding of heterochromatin protein 1 alpha (HP1 alpha) to histone H3: Backbone 1H, 15N chemical shift assignments for histone H3 (1-59) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-04-10 _Entry.Accession_date 2012-04-10 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Alexandria Richart . N. . 18385 2 Brunner Clair . I. . 18385 3 Stott Katherine . . . 18385 4 Murzina Natalia . V. . 18385 5 Thomas Jean . O. . 18385 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18385 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '15N chemical shifts' 55 18385 '1H chemical shifts' 55 18385 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2012-06-14 2012-04-10 update BMRB 'update entry citation' 18385 1 . . 2012-05-21 2012-04-10 original author 'original release' 18385 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 18386 'HP1 CSDalpha(109-185)' 18385 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18385 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22493481 _Citation.Full_citation . _Citation.Title 'Characterization of Chromoshadow Domain-mediated Binding of Heterochromatin Protein 1 (HP1) to Histone H3.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full 'The Journal of biological chemistry' _Citation.Journal_volume 287 _Citation.Journal_issue 22 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 18730 _Citation.Page_last 18737 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Alexandria Richart . N. . 18385 1 2 Clair Brunner . I.W. . 18385 1 3 Katherine Stott . . . 18385 1 4 Natalia Murzina . V. . 18385 1 5 Jean Thomas . O. . 18385 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID chromatin 18385 1 'chromoshadow domain' 18385 1 'H3 alpha-N helix' 18385 1 'histone H3' 18385 1 HP1 18385 1 NMR 18385 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18385 _Assembly.ID 1 _Assembly.Name H3(1-59) _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 H3(1-59) 1 $H3(1-59) A . yes 'intrinsically disordered' no no . . . 18385 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_H3(1-59) _Entity.Sf_category entity _Entity.Sf_framecode H3(1-59) _Entity.Entry_ID 18385 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name H3(1-59) _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ARTKQTARKSTGGKAPRKQL ATKAARKSAPATGGVKKPHR YRPGTVALREIRRYQKSTE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 59 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1AOI . "Complex Between Nucleosome Core Particle (H3,H4,H2a,H2b) And 146 Bp Long Dna Fragment" . . . . . 67.80 116 100.00 100.00 6.00e-18 . . . . 18385 1 2 no PDB 1EQZ . "X-Ray Structure Of The Nucleosome Core Particle At 2.5 A Resolution" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 3 no PDB 1F66 . "2.6 A Crystal Structure Of A Nucleosome Core Particle Containing The Variant Histone H2a.Z" . . . . . 100.00 136 98.31 98.31 1.15e-29 . . . . 18385 1 4 no PDB 1HQ3 . "Crystal Structure Of The Histone-Core-Octamer In KclPHOSPHATE" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 5 no PDB 1KX3 . "X-Ray Structure Of The Nucleosome Core Particle, Ncp146, At 2.0 A Resolution" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 6 no PDB 1KX4 . "X-Ray Structure Of The Nucleosome Core Particle, Ncp146b, At 2.6 A Resolution" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 7 no PDB 1KX5 . "X-ray Structure Of The Nucleosome Core Particle, Ncp147, At 1.9 A Resolution" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 8 no PDB 1S32 . "Molecular Recognition Of The Nucleosomal 'supergroove'" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 9 no PDB 1TZY . "Crystal Structure Of The Core-Histone Octamer To 1.90 Angstrom Resolution" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 10 no PDB 1U35 . "Crystal Structure Of The Nucleosome Core Particle Containing The Histone Domain Of Macroh2a" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 11 no PDB 1ZBB . "Structure Of The 4_601_167 Tetranucleosome" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 12 no PDB 1ZLA . "X-Ray Structure Of A Kaposi's Sarcoma Herpesvirus Lana Peptide Bound To The Nucleosomal Core" . . . . . 100.00 135 100.00 100.00 1.19e-30 . . . . 18385 1 13 no PDB 2ARO . "Crystal Structure Of The Native Histone Octamer To 2.1 Angstrom Resolution, Crystalised In The Presence Of S-nitrosoglutathione" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 14 no PDB 2CV5 . "Crystal Structure Of Human Nucleosome Core Particle" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 15 no PDB 2F8N . "2.9 Angstrom X-Ray Structure Of Hybrid Macroh2a Nucleosomes" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 16 no PDB 2FJ7 . "Crystal Structure Of Nucleosome Core Particle Containing A Poly (Da.Dt) Sequence Element" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 17 no PDB 2HIO . "Histone Octamer (Chicken), Chromosomal Protein" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 18 no PDB 2IO5 . "Crystal Structure Of The Cia- Histone H3-H4 Complex" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 19 no PDB 2NQB . "Drosophila Nucleosome Structure" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 20 no PDB 2NZD . "Nucleosome Core Particle Containing 145 Bp Of Dna" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 21 no PDB 2PYO . "Drosophila Nucleosome Core" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 22 no PDB 3A6N . "The Nucleosome Containing A Testis-Specific Histone Variant, Human H3t" . . . . . 100.00 139 98.31 98.31 4.14e-30 . . . . 18385 1 23 no PDB 3AFA . "The Human Nucleosome Structure" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 24 no PDB 3AV1 . "The Human Nucleosome Structure Containing The Histone Variant H3.2" . . . . . 100.00 139 100.00 100.00 1.49e-30 . . . . 18385 1 25 no PDB 3AV2 . "The Human Nucleosome Structure Containing The Histone Variant H3.3" . . . . . 100.00 139 98.31 100.00 5.85e-30 . . . . 18385 1 26 no PDB 3AYW . "Crystal Structure Of Human Nucleosome Core Particle Containing H3k56q Mutation" . . . . . 100.00 139 98.31 100.00 4.19e-30 . . . . 18385 1 27 no PDB 3AZE . "Crystal Structure Of Human Nucleosome Core Particle Containing H3k64q Mutation" . . . . . 100.00 139 100.00 100.00 1.47e-30 . . . . 18385 1 28 no PDB 3AZF . "Crystal Structure Of Human Nucleosome Core Particle Containing H3k79q Mutation" . . . . . 100.00 139 100.00 100.00 1.47e-30 . . . . 18385 1 29 no PDB 3AZG . "Crystal Structure Of Human Nucleosome Core Particle Containing H3k115q Mutation" . . . . . 100.00 139 100.00 100.00 1.47e-30 . . . . 18385 1 30 no PDB 3AZH . "Crystal Structure Of Human Nucleosome Core Particle Containing H3k122q Mutation" . . . . . 100.00 139 100.00 100.00 1.47e-30 . . . . 18385 1 31 no PDB 3AZI . "Crystal Structure Of Human Nucleosome Core Particle Containing H4k31q Mutation" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 32 no PDB 3AZJ . "Crystal Structure Of Human Nucleosome Core Particle Containing H4k44q Mutation" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 33 no PDB 3AZK . "Crystal Structure Of Human Nucleosome Core Particle Containing H4k59q Mutation" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 34 no PDB 3AZL . "Crystal Structure Of Human Nucleosome Core Particle Containing H4k77q Mutation" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 35 no PDB 3AZM . "Crystal Structure Of Human Nucleosome Core Particle Containing H4k79q Mutation" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 36 no PDB 3AZN . "Crystal Structure Of Human Nucleosome Core Particle Containing H4k91q Mutation" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 37 no PDB 3B6F . "Nucleosome Core Particle Treated With Cisplatin" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 38 no PDB 3B6G . "Nucleosome Core Particle Treated With Oxaliplatin" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 39 no PDB 3C1B . "The Effect Of H3 K79 Dimethylation And H4 K20 Trimethylation On Nucleosome And Chromatin Structure" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 40 no PDB 3C1C . "The Effect Of H3 K79 Dimethylation And H4 K20 Trimethylation On Nucleosome And Chromatin Structure" . . . . . 100.00 135 100.00 100.00 1.07e-30 . . . . 18385 1 41 no PDB 3C9K . "Model Of Histone Octamer Tubular Crystals" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 42 no PDB 3KUY . "Dna Stretching In The Nucleosome Facilitates Alkylation By An Intercalating Antitumor Agent" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 43 no PDB 3KXB . "Structural Characterization Of H3k56q Nucleosomes And Nucleosomal Arrays" . . . . . 100.00 135 98.31 100.00 3.10e-30 . . . . 18385 1 44 no PDB 3LEL . "Structural Insight Into The Sequence-Dependence Of Nucleosom Positioning" . . . . . 100.00 136 100.00 100.00 9.83e-31 . . . . 18385 1 45 no PDB 3LJA . "Using Soft X-rays For A Detailed Picture Of Divalent Metal Binding In The Nucleosome" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 46 no PDB 3LZ0 . "Crystal Structure Of Nucleosome Core Particle Composed Of The Widom 601 Dna Sequence (Orientation 1)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 47 no PDB 3LZ1 . "Crystal Structure Of Nucleosome Core Particle Composed Of The Widom 601 Dna Sequence (Orientation 2)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 48 no PDB 3MGP . "Binding Of Cobalt Ions To The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 49 no PDB 3MGQ . "Binding Of Nickel Ions To The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 50 no PDB 3MGR . "Binding Of Rubidium Ions To The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 51 no PDB 3MGS . "Binding Of Cesium Ions To The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 52 no PDB 3MNN . "A Ruthenium Antitumour Agent Forms Specific Histone Protein Adducts In The Nucleosome Core" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 53 no PDB 3MVD . "Crystal Structure Of The Chromatin Factor Rcc1 In Complex With The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 54 no PDB 3O62 . "Nucleosome Core Particle Modified With A Cisplatin 1,3-Cis-{pt(Nh3) 2}2+-D(Gptpg) Intrastrand Cross-Link" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 55 no PDB 3REH . "2.5 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 145 Bp Alpha-Satellite Dna (Ncp145)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 56 no PDB 3REI . "2.65 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 145 Bp Alpha-Satellite Dna (Ncp145) Derivatize" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 57 no PDB 3REJ . "2.55 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 58 no PDB 3REK . "2.6 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b) Derivatize" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 59 no PDB 3REL . "2.7 Angstrom Crystal Structure Of The Nucleosome Core Particle Assembled With A 146 Bp Alpha-Satellite Dna (Ncp146b) Derivatize" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 60 no PDB 3TU4 . "Crystal Structure Of The Sir3 Bah Domain In Complex With A Nucleosome Core Particle." . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 61 no PDB 3UT9 . "Crystal Structure Of Nucleosome Core Particle Assembled With A Palindromic Widom '601' Derivative (ncp-601l)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 62 no PDB 3UTA . "Crystal Structure Of Nucleosome Core Particle Assembled With An Alpha- Satellite Sequence Containing Two Ttaaa Elements (ncp-ta" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 63 no PDB 3UTB . "Crystal Structure Of Nucleosome Core Particle Assembled With The 146b Alpha-satellite Sequence (ncp146b)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 64 no PDB 3W96 . "Crystal Structure Of Human Nucleosome Core Particle Lacking H2a N- Terminal Region" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 65 no PDB 3W97 . "Crystal Structure Of Human Nucleosome Core Particle Lacking H2b N- Terminal Region" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 66 no PDB 3W98 . "Crystal Structure Of Human Nucleosome Core Particle Lacking H3.1 N- Terminal Region" . . . . . 54.24 112 100.00 100.00 5.86e-13 . . . . 18385 1 67 no PDB 3W99 . "Crystal Structure Of Human Nucleosome Core Particle Lacking H4 N- Terminal Region" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 68 no PDB 3WA9 . "The Nucleosome Containing Human H2a.z.1" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 69 no PDB 3WAA . "The Nucleosome Containing Human H2a.z.2" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 70 no PDB 3WKJ . "The Nucleosome Containing Human Tsh2b" . . . . . 100.00 139 100.00 100.00 1.46e-30 . . . . 18385 1 71 no PDB 3WTP . "Crystal Structure Of The Heterotypic Nucleosome Containing Human Cenp- A And H3.3" . . . . . 100.00 140 98.31 100.00 1.05e-29 . . . . 18385 1 72 no PDB 3X1S . "Crystal Structure Of The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.40e-30 . . . . 18385 1 73 no PDB 3X1T . "Crystal Structure Of Nucleosome Core Particle Consisting Of Mouse Testis Specific Histone Variants H2aa And H2ba" . . . . . 100.00 135 100.00 100.00 1.40e-30 . . . . 18385 1 74 no PDB 3X1U . "Crystal Structure Of Nucleosome Core Particle In The Presence Of Histone Variants Involved In Reprogramming" . . . . . 100.00 135 100.00 100.00 1.40e-30 . . . . 18385 1 75 no PDB 3X1V . "Crystal Structure Of Nucleosome Core Particle In The Presence Of Histone Variant Involved In Reprogramming" . . . . . 100.00 135 100.00 100.00 1.40e-30 . . . . 18385 1 76 no PDB 4H9N . "Complex Structure 1 Of DaxxH3.3(SUB5)H4" . . . . . 100.00 135 98.31 100.00 4.11e-30 . . . . 18385 1 77 no PDB 4H9O . "Complex Structure 2 Of DaxxH3.3(SUB5,G90M)H4" . . . . . 100.00 135 98.31 100.00 3.04e-30 . . . . 18385 1 78 no PDB 4H9P . "Complex Structure 3 Of DaxxH3.3(SUB5,G90A)H4" . . . . . 100.00 135 98.31 100.00 3.46e-30 . . . . 18385 1 79 no PDB 4H9Q . "Complex Structure 4 Of Daxx(E225a)H3.3(SUB5)H4" . . . . . 100.00 135 98.31 100.00 4.11e-30 . . . . 18385 1 80 no PDB 4H9R . "Complex Structure 5 Of Daxx(E225a)H3.3(SUB5,G90A)H4" . . . . . 100.00 135 98.31 100.00 3.46e-30 . . . . 18385 1 81 no PDB 4H9S . "Complex Structure 6 Of DaxxH3.3(SUB7)H4" . . . . . 100.00 135 98.31 100.00 5.21e-30 . . . . 18385 1 82 no PDB 4HGA . "Structure Of The Variant Histone H3.3-h4 Heterodimer In Complex With Its Chaperone Daxx" . . . . . 100.00 136 98.31 100.00 4.45e-30 . . . . 18385 1 83 no PDB 4J8U . "X-ray Structure Of Ncp145 With Chlorido(eta-6-p-cymene)(n-phenyl-2- Pyridinecarbothioamide)osmium(ii)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 84 no PDB 4J8V . "X-ray Structure Of Ncp145 With Bound Chlorido(eta-6-p-cymene)(n- Phenyl-2-pyridinecarbothioamide)ruthenium(ii)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 85 no PDB 4J8W . "X-ray Structure Of Ncp145 With Chlorido(eta-6-p-cymene)(n- Fluorophenyl-2-pyridinecarbothioamide)osmium(ii)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 86 no PDB 4J8X . "X-ray Structure Of Ncp145 With Bound Chlorido(eta-6-p-cymene)(n- Fluorophenyl-2-pyridinecarbothioamide)ruthenium(ii)" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 87 no PDB 4KGC . "Nucleosome Core Particle Containing (eta6-p-cymene)-(1, 2- Ethylenediamine)-ruthenium" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 88 no PDB 4LD9 . "Crystal Structure Of The N-terminally Acetylated Bah Domain Of Sir3 Bound To The Nucleosome Core Particle" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 89 no PDB 4QLC . "Crystal Structure Of Chromatosome At 3.5 Angstrom Resolution" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 90 no PDB 4R8P . "Crystal Structure Of The Ring1b/bmi1/ubch5c Prc1 Ubiquitylation Module Bound To The Nucleosome Core Particle" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 91 no PDB 4UUZ . "Mcm2-histone Complex" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 92 no PDB 4WU8 . "Structure Of Trptnap-ncp145" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 93 no PDB 4WU9 . "Structure Of Cisptnap-ncp145" . . . . . 100.00 135 100.00 100.00 1.15e-30 . . . . 18385 1 94 no PDB 5BS7 . "Structure Of Histone H3/h4 In Complex With Spt2" . . . . . 59.32 111 100.00 100.00 9.17e-15 . . . . 18385 1 95 no PDB 5BSA . "Structure Of Histone H3/h4 In Complex With Spt2" . . . . . 57.63 110 100.00 100.00 3.10e-14 . . . . 18385 1 96 no PDB 5C3I . "Crystal Structure Of The Quaternary Complex Of Histone H3-h4 Heterodimer With Chaperone Asf1 And The Replicative Helicase Subun" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 97 no DBJ BAA20144 . "Histone H3 [Drosophila simulans]" . . . . . 100.00 136 98.31 98.31 3.91e-30 . . . . 18385 1 98 no DBJ BAA93621 . "histone H3 [Drosophila melanogaster]" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 99 no DBJ BAA93622 . "histone H3 [Drosophila simulans]" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 100 no DBJ BAA93623 . "histone H3 [Drosophila sechellia]" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 101 no DBJ BAA93624 . "histone H3 [Drosophila mauritiana]" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 102 no EMBL CAA24375 . "unnamed protein product [Psammechinus miliaris]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 103 no EMBL CAA24647 . "unnamed protein product [Strongylocentrotus purpuratus]" . . . . . 100.00 136 100.00 100.00 1.60e-30 . . . . 18385 1 104 no EMBL CAA24952 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 105 no EMBL CAA25242 . "unnamed protein product [Lytechinus pictus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 106 no EMBL CAA25262 . "unnamed protein product [Lytechinus pictus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 107 no GB AAA19824 . "H3 histone [Rattus norvegicus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 108 no GB AAA29441 . "histone H3 [Paracentrotus lividus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 109 no GB AAA29965 . "histone H3 [Spisula solidissima]" . . . . . 100.00 136 98.31 100.00 4.45e-30 . . . . 18385 1 110 no GB AAA30003 . "histone H3 [Lytechinus pictus]" . . . . . 100.00 136 100.00 100.00 1.37e-30 . . . . 18385 1 111 no GB AAA30026 . "histone H3 [Psammechinus miliaris]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 112 no PIR A56580 . "histone H3 - midge (Chironomus thummi thummi)" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 113 no PIR A56618 . "histone H3 - spoonworm (Urechis caupo)" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 114 no PIR A56654 . "histone H3 - Tigriopus californicus" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 115 no PIR I48113 . "histone H3.2 - Chinese hamster (fragment)" . . . . . 64.41 39 100.00 100.00 1.12e-13 . . . . 18385 1 116 no PIR I49397 . "histone H3.2 protein - shrew mouse" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 117 no PRF 0710252A . "histone H3" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 118 no PRF 0806228A . "histone H3 [Gallus gallus]" . . . . . 100.00 135 100.00 100.00 1.25e-30 . . . . 18385 1 119 no PRF 1202289A . "histone H3" . . . . . 100.00 135 98.31 100.00 3.53e-30 . . . . 18385 1 120 no PRF 1920342A . "histone H3" . . . . . 100.00 136 98.31 98.31 1.37e-29 . . . . 18385 1 121 no PRF 2021267A . "histone H3.3" . . . . . 100.00 136 98.31 100.00 5.01e-30 . . . . 18385 1 122 no REF NP_001005101 . "histone H3.3 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 136 98.31 100.00 4.45e-30 . . . . 18385 1 123 no REF NP_001005464 . "histone H3.2 [Homo sapiens]" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 124 no REF NP_001013074 . "histone H3.1 [Rattus norvegicus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 125 no REF NP_001014411 . "histone H3.3 [Bos taurus]" . . . . . 100.00 136 98.31 100.00 4.45e-30 . . . . 18385 1 126 no REF NP_001016636 . "histone H3.2 [Xenopus (Silurana) tropicalis]" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 127 no SP P02299 . "RecName: Full=Histone H3" . . . . . 100.00 136 100.00 100.00 1.21e-30 . . . . 18385 1 128 no SP P06352 . "RecName: Full=Histone H3, embryonic" . . . . . 100.00 136 100.00 100.00 1.13e-30 . . . . 18385 1 129 no SP P08898 . "RecName: Full=Histone H3" . . . . . 100.00 136 98.31 100.00 4.26e-30 . . . . 18385 1 130 no SP P08903 . "RecName: Full=Histone H3.2" . . . . . 100.00 136 98.31 100.00 3.51e-30 . . . . 18385 1 131 no SP P22843 . "RecName: Full=Histone H3" . . . . . 100.00 136 98.31 98.31 1.37e-29 . . . . 18385 1 132 no TPG DAA16173 . "TPA: histone cluster 1, H3f-like [Bos taurus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 133 no TPG DAA16175 . "TPA: histone cluster 1, H3f-like [Bos taurus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 134 no TPG DAA16178 . "TPA: histone cluster 1, H3f-like [Bos taurus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 135 no TPG DAA16187 . "TPA: histone cluster 1, H3f-like [Bos taurus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 136 no TPG DAA16190 . "TPA: histone cluster 1, H3f-like [Bos taurus]" . . . . . 100.00 136 100.00 100.00 1.25e-30 . . . . 18385 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 ALA . 18385 1 2 2 ARG . 18385 1 3 3 THR . 18385 1 4 4 LYS . 18385 1 5 5 GLN . 18385 1 6 6 THR . 18385 1 7 7 ALA . 18385 1 8 8 ARG . 18385 1 9 9 LYS . 18385 1 10 10 SER . 18385 1 11 11 THR . 18385 1 12 12 GLY . 18385 1 13 13 GLY . 18385 1 14 14 LYS . 18385 1 15 15 ALA . 18385 1 16 16 PRO . 18385 1 17 17 ARG . 18385 1 18 18 LYS . 18385 1 19 19 GLN . 18385 1 20 20 LEU . 18385 1 21 21 ALA . 18385 1 22 22 THR . 18385 1 23 23 LYS . 18385 1 24 24 ALA . 18385 1 25 25 ALA . 18385 1 26 26 ARG . 18385 1 27 27 LYS . 18385 1 28 28 SER . 18385 1 29 29 ALA . 18385 1 30 30 PRO . 18385 1 31 31 ALA . 18385 1 32 32 THR . 18385 1 33 33 GLY . 18385 1 34 34 GLY . 18385 1 35 35 VAL . 18385 1 36 36 LYS . 18385 1 37 37 LYS . 18385 1 38 38 PRO . 18385 1 39 39 HIS . 18385 1 40 40 ARG . 18385 1 41 41 TYR . 18385 1 42 42 ARG . 18385 1 43 43 PRO . 18385 1 44 44 GLY . 18385 1 45 45 THR . 18385 1 46 46 VAL . 18385 1 47 47 ALA . 18385 1 48 48 LEU . 18385 1 49 49 ARG . 18385 1 50 50 GLU . 18385 1 51 51 ILE . 18385 1 52 52 ARG . 18385 1 53 53 ARG . 18385 1 54 54 TYR . 18385 1 55 55 GLN . 18385 1 56 56 LYS . 18385 1 57 57 SER . 18385 1 58 58 THR . 18385 1 59 59 GLU . 18385 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . ALA 1 1 18385 1 . ARG 2 2 18385 1 . THR 3 3 18385 1 . LYS 4 4 18385 1 . GLN 5 5 18385 1 . THR 6 6 18385 1 . ALA 7 7 18385 1 . ARG 8 8 18385 1 . LYS 9 9 18385 1 . SER 10 10 18385 1 . THR 11 11 18385 1 . GLY 12 12 18385 1 . GLY 13 13 18385 1 . LYS 14 14 18385 1 . ALA 15 15 18385 1 . PRO 16 16 18385 1 . ARG 17 17 18385 1 . LYS 18 18 18385 1 . GLN 19 19 18385 1 . LEU 20 20 18385 1 . ALA 21 21 18385 1 . THR 22 22 18385 1 . LYS 23 23 18385 1 . ALA 24 24 18385 1 . ALA 25 25 18385 1 . ARG 26 26 18385 1 . LYS 27 27 18385 1 . SER 28 28 18385 1 . ALA 29 29 18385 1 . PRO 30 30 18385 1 . ALA 31 31 18385 1 . THR 32 32 18385 1 . GLY 33 33 18385 1 . GLY 34 34 18385 1 . VAL 35 35 18385 1 . LYS 36 36 18385 1 . LYS 37 37 18385 1 . PRO 38 38 18385 1 . HIS 39 39 18385 1 . ARG 40 40 18385 1 . TYR 41 41 18385 1 . ARG 42 42 18385 1 . PRO 43 43 18385 1 . GLY 44 44 18385 1 . THR 45 45 18385 1 . VAL 46 46 18385 1 . ALA 47 47 18385 1 . LEU 48 48 18385 1 . ARG 49 49 18385 1 . GLU 50 50 18385 1 . ILE 51 51 18385 1 . ARG 52 52 18385 1 . ARG 53 53 18385 1 . TYR 54 54 18385 1 . GLN 55 55 18385 1 . LYS 56 56 18385 1 . SER 57 57 18385 1 . THR 58 58 18385 1 . GLU 59 59 18385 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18385 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $H3(1-59) . 9606 organism . 'Homo sapiens' Humans . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18385 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18385 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $H3(1-59) . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pGEX2TL . . . . . . 18385 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18385 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 H3(1-59) '[U-95% 15N]' . . 1 $H3(1-59) . . 0.5 . . mM . . . . 18385 1 2 'sodium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18385 1 3 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18385 1 4 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18385 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18385 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.01 . M 18385 1 pH 7.0 . pH 18385 1 pressure 1 . atm 18385 1 temperature 273 . K 18385 1 stop_ save_ ############################ # Computer software used # ############################ save_AZARA _Software.Sf_category software _Software.Sf_framecode AZARA _Software.Entry_ID 18385 _Software.ID 1 _Software.Name AZARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Boucher . . 18385 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18385 1 stop_ save_ save_Analysis _Software.Sf_category software _Software.Sf_framecode Analysis _Software.Entry_ID 18385 _Software.ID 2 _Software.Name Analysis _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18385 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18385 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18385 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18385 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker DRX . 600 . . . 18385 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18385 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18385 1 2 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18385 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18385 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18385 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18385 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18385 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18385 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18385 1 2 '3D 1H-15N TOCSY' . . . 18385 1 3 '3D 1H-15N NOESY' . . . 18385 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 ALA H H 1 8.426 0.002 . 1 . . . . 1 ALA H . 18385 1 2 . 1 1 1 1 ALA N N 15 124.683 0.020 . 1 . . . . 1 ALA N . 18385 1 3 . 1 1 2 2 ARG H H 1 8.573 0.002 . 1 . . . . 2 ARG H . 18385 1 4 . 1 1 2 2 ARG N N 15 120.952 0.020 . 1 . . . . 2 ARG N . 18385 1 5 . 1 1 3 3 THR H H 1 8.378 0.002 . 1 . . . . 3 THR H . 18385 1 6 . 1 1 3 3 THR N N 15 115.564 0.020 . 1 . . . . 3 THR N . 18385 1 7 . 1 1 4 4 LYS H H 1 8.587 0.002 . 1 . . . . 4 LYS H . 18385 1 8 . 1 1 4 4 LYS N N 15 123.665 0.020 . 1 . . . . 4 LYS N . 18385 1 9 . 1 1 5 5 GLN H H 1 8.677 0.002 . 1 . . . . 5 GLN H . 18385 1 10 . 1 1 5 5 GLN N N 15 121.879 0.020 . 1 . . . . 5 GLN N . 18385 1 11 . 1 1 6 6 THR H H 1 8.462 0.002 . 1 . . . . 6 THR H . 18385 1 12 . 1 1 6 6 THR N N 15 116.344 0.020 . 1 . . . . 6 THR N . 18385 1 13 . 1 1 7 7 ALA H H 1 8.571 0.002 . 1 . . . . 7 ALA H . 18385 1 14 . 1 1 7 7 ALA N N 15 126.703 0.020 . 1 . . . . 7 ALA N . 18385 1 15 . 1 1 8 8 ARG H H 1 8.590 0.002 . 1 . . . . 8 ARG H . 18385 1 16 . 1 1 8 8 ARG N N 15 121.024 0.020 . 1 . . . . 8 ARG N . 18385 1 17 . 1 1 9 9 LYS H H 1 8.715 0.002 . 1 . . . . 9 LYS H . 18385 1 18 . 1 1 9 9 LYS N N 15 123.420 0.020 . 1 . . . . 9 LYS N . 18385 1 19 . 1 1 10 10 SER H H 1 8.742 0.002 . 1 . . . . 10 SER H . 18385 1 20 . 1 1 10 10 SER N N 15 117.588 0.020 . 1 . . . . 10 SER N . 18385 1 21 . 1 1 11 11 THR H H 1 8.578 0.002 . 1 . . . . 11 THR H . 18385 1 22 . 1 1 11 11 THR N N 15 115.471 0.020 . 1 . . . . 11 THR N . 18385 1 23 . 1 1 12 12 GLY H H 1 8.657 0.002 . 1 . . . . 12 GLY H . 18385 1 24 . 1 1 12 12 GLY N N 15 110.729 0.020 . 1 . . . . 12 GLY N . 18385 1 25 . 1 1 13 13 GLY H H 1 8.527 0.002 . 1 . . . . 13 GLY H . 18385 1 26 . 1 1 13 13 GLY N N 15 108.517 0.020 . 1 . . . . 13 GLY N . 18385 1 27 . 1 1 14 14 LYS H H 1 8.409 0.002 . 1 . . . . 14 LYS H . 18385 1 28 . 1 1 14 14 LYS N N 15 120.457 0.020 . 1 . . . . 14 LYS N . 18385 1 29 . 1 1 15 15 ALA H H 1 8.638 0.002 . 1 . . . . 15 ALA H . 18385 1 30 . 1 1 15 15 ALA N N 15 126.956 0.020 . 1 . . . . 15 ALA N . 18385 1 31 . 1 1 17 17 ARG H H 1 8.714 0.002 . 1 . . . . 17 ARG H . 18385 1 32 . 1 1 17 17 ARG N N 15 121.782 0.020 . 1 . . . . 17 ARG N . 18385 1 33 . 1 1 18 18 LYS H H 1 8.682 0.002 . 1 . . . . 18 LYS H . 18385 1 34 . 1 1 18 18 LYS N N 15 123.308 0.020 . 1 . . . . 18 LYS N . 18385 1 35 . 1 1 19 19 GLN H H 1 8.703 0.002 . 1 . . . . 19 GLN H . 18385 1 36 . 1 1 19 19 GLN N N 15 122.306 0.020 . 1 . . . . 19 GLN N . 18385 1 37 . 1 1 20 20 LEU H H 1 8.599 0.002 . 1 . . . . 20 LEU H . 18385 1 38 . 1 1 20 20 LEU N N 15 124.243 0.020 . 1 . . . . 20 LEU N . 18385 1 39 . 1 1 21 21 ALA H H 1 8.612 0.002 . 1 . . . . 21 ALA H . 18385 1 40 . 1 1 21 21 ALA N N 15 125.104 0.020 . 1 . . . . 21 ALA N . 18385 1 41 . 1 1 22 22 THR H H 1 8.351 0.002 . 1 . . . . 22 THR H . 18385 1 42 . 1 1 22 22 THR N N 15 114.173 0.020 . 1 . . . . 22 THR N . 18385 1 43 . 1 1 23 23 LYS H H 1 8.580 0.002 . 1 . . . . 23 LYS H . 18385 1 44 . 1 1 23 23 LYS N N 15 123.959 0.020 . 1 . . . . 23 LYS N . 18385 1 45 . 1 1 24 24 ALA H H 1 8.548 0.002 . 1 . . . . 24 ALA H . 18385 1 46 . 1 1 24 24 ALA N N 15 125.370 0.020 . 1 . . . . 24 ALA N . 18385 1 47 . 1 1 25 25 ALA H H 1 8.499 0.002 . 1 . . . . 25 ALA H . 18385 1 48 . 1 1 25 25 ALA N N 15 123.534 0.020 . 1 . . . . 25 ALA N . 18385 1 49 . 1 1 26 26 ARG H H 1 8.540 0.002 . 1 . . . . 26 ARG H . 18385 1 50 . 1 1 26 26 ARG N N 15 120.767 0.020 . 1 . . . . 26 ARG N . 18385 1 51 . 1 1 27 27 LYS H H 1 8.682 0.002 . 1 . . . . 27 LYS H . 18385 1 52 . 1 1 27 27 LYS N N 15 123.308 0.020 . 1 . . . . 27 LYS N . 18385 1 53 . 1 1 28 28 SER H H 1 8.582 0.002 . 1 . . . . 28 SER H . 18385 1 54 . 1 1 28 28 SER N N 15 117.550 0.020 . 1 . . . . 28 SER N . 18385 1 55 . 1 1 29 29 ALA H H 1 8.596 0.002 . 1 . . . . 29 ALA H . 18385 1 56 . 1 1 29 29 ALA N N 15 126.926 0.020 . 1 . . . . 29 ALA N . 18385 1 57 . 1 1 31 31 ALA H H 1 8.764 0.002 . 1 . . . . 31 ALA H . 18385 1 58 . 1 1 31 31 ALA N N 15 124.681 0.020 . 1 . . . . 31 ALA N . 18385 1 59 . 1 1 32 32 THR H H 1 8.420 0.002 . 1 . . . . 32 THR H . 18385 1 60 . 1 1 32 32 THR N N 15 113.031 0.020 . 1 . . . . 32 THR N . 18385 1 61 . 1 1 33 33 GLY H H 1 8.657 0.002 . 1 . . . . 33 GLY H . 18385 1 62 . 1 1 33 33 GLY N N 15 110.729 0.020 . 1 . . . . 33 GLY N . 18385 1 63 . 1 1 34 34 GLY H H 1 8.491 0.002 . 1 . . . . 34 GLY H . 18385 1 64 . 1 1 34 34 GLY N N 15 108.476 0.020 . 1 . . . . 34 GLY N . 18385 1 65 . 1 1 35 35 VAL H H 1 8.278 0.002 . 1 . . . . 35 VAL H . 18385 1 66 . 1 1 35 35 VAL N N 15 119.471 0.020 . 1 . . . . 35 VAL N . 18385 1 67 . 1 1 36 36 LYS H H 1 8.696 0.002 . 1 . . . . 36 LYS H . 18385 1 68 . 1 1 36 36 LYS N N 15 126.158 0.020 . 1 . . . . 36 LYS N . 18385 1 69 . 1 1 37 37 LYS H H 1 8.678 0.002 . 1 . . . . 37 LYS H . 18385 1 70 . 1 1 37 37 LYS N N 15 124.589 0.020 . 1 . . . . 37 LYS N . 18385 1 71 . 1 1 39 39 HIS H H 1 8.644 0.002 . 1 . . . . 39 HIS H . 18385 1 72 . 1 1 39 39 HIS N N 15 120.469 0.020 . 1 . . . . 39 HIS N . 18385 1 73 . 1 1 40 40 ARG H H 1 8.500 0.002 . 1 . . . . 40 ARG H . 18385 1 74 . 1 1 40 40 ARG N N 15 123.080 0.020 . 1 . . . . 40 ARG N . 18385 1 75 . 1 1 41 41 TYR H H 1 8.611 0.002 . 1 . . . . 41 TYR H . 18385 1 76 . 1 1 41 41 TYR N N 15 122.231 0.020 . 1 . . . . 41 TYR N . 18385 1 77 . 1 1 42 42 ARG H H 1 8.413 0.002 . 1 . . . . 42 ARG H . 18385 1 78 . 1 1 42 42 ARG N N 15 125.604 0.020 . 1 . . . . 42 ARG N . 18385 1 79 . 1 1 44 44 GLY H H 1 8.774 0.002 . 1 . . . . 44 GLY H . 18385 1 80 . 1 1 44 44 GLY N N 15 109.204 0.020 . 1 . . . . 44 GLY N . 18385 1 81 . 1 1 45 45 THR H H 1 8.164 0.002 . 1 . . . . 45 THR H . 18385 1 82 . 1 1 45 45 THR N N 15 113.642 0.020 . 1 . . . . 45 THR N . 18385 1 83 . 1 1 46 46 VAL H H 1 8.426 0.002 . 1 . . . . 46 VAL H . 18385 1 84 . 1 1 46 46 VAL N N 15 122.977 0.020 . 1 . . . . 46 VAL N . 18385 1 85 . 1 1 47 47 ALA H H 1 8.583 0.002 . 1 . . . . 47 ALA H . 18385 1 86 . 1 1 47 47 ALA N N 15 127.396 0.020 . 1 . . . . 47 ALA N . 18385 1 87 . 1 1 48 48 LEU H H 1 8.405 0.002 . 1 . . . . 48 LEU H . 18385 1 88 . 1 1 48 48 LEU N N 15 121.381 0.020 . 1 . . . . 48 LEU N . 18385 1 89 . 1 1 49 49 ARG H H 1 8.449 0.002 . 1 . . . . 49 ARG H . 18385 1 90 . 1 1 49 49 ARG N N 15 121.213 0.020 . 1 . . . . 49 ARG N . 18385 1 91 . 1 1 50 50 GLU H H 1 8.501 0.002 . 1 . . . . 50 GLU H . 18385 1 92 . 1 1 50 50 GLU N N 15 121.779 0.020 . 1 . . . . 50 GLU N . 18385 1 93 . 1 1 51 51 ILE H H 1 8.387 0.002 . 1 . . . . 51 ILE H . 18385 1 94 . 1 1 51 51 ILE N N 15 122.748 0.020 . 1 . . . . 51 ILE N . 18385 1 95 . 1 1 52 52 ARG H H 1 8.567 0.002 . 1 . . . . 52 ARG H . 18385 1 96 . 1 1 52 52 ARG N N 15 124.828 0.020 . 1 . . . . 52 ARG N . 18385 1 97 . 1 1 53 53 ARG H H 1 8.490 0.002 . 1 . . . . 53 ARG H . 18385 1 98 . 1 1 53 53 ARG N N 15 122.219 0.020 . 1 . . . . 53 ARG N . 18385 1 99 . 1 1 54 54 TYR H H 1 8.459 0.002 . 1 . . . . 54 TYR H . 18385 1 100 . 1 1 54 54 TYR N N 15 120.840 0.020 . 1 . . . . 54 TYR N . 18385 1 101 . 1 1 55 55 GLN H H 1 8.361 0.002 . 1 . . . . 55 GLN H . 18385 1 102 . 1 1 55 55 GLN N N 15 122.412 0.020 . 1 . . . . 55 GLN N . 18385 1 103 . 1 1 56 56 LYS H H 1 8.600 0.002 . 1 . . . . 56 LYS H . 18385 1 104 . 1 1 56 56 LYS N N 15 123.328 0.020 . 1 . . . . 56 LYS N . 18385 1 105 . 1 1 57 57 SER H H 1 8.714 0.002 . 1 . . . . 57 SER H . 18385 1 106 . 1 1 57 57 SER N N 15 117.608 0.020 . 1 . . . . 57 SER N . 18385 1 107 . 1 1 58 58 THR H H 1 8.379 0.002 . 1 . . . . 58 THR H . 18385 1 108 . 1 1 58 58 THR N N 15 115.100 0.020 . 1 . . . . 58 THR N . 18385 1 109 . 1 1 59 59 GLU H H 1 8.144 0.002 . 1 . . . . 59 GLU H . 18385 1 110 . 1 1 59 59 GLU N N 15 127.278 0.020 . 1 . . . . 59 GLU N . 18385 1 stop_ save_