data_18025 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; hUBR2 ubr-box assigments ; _BMRB_accession_number 18025 _BMRB_flat_file_name bmr18025.str _Entry_type original _Submission_date 2011-10-26 _Accession_date 2011-10-26 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matta-Camacho Edna P. . 2 Kozlov Guennadi . . 3 Gehring Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 64 "15N chemical shifts" 64 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-11-29 original author . stop_ _Original_release_date 2011-11-29 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title '1H and 15N Assigned Chemical Shifts for hUBR2 ubr-box' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Matta-Camacho Edna . . 2 Kozlov Guennadi . . 3 Gehring Kalle . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . loop_ _Keyword assignments hUBR2 NMR ubr-box stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'hUBR2 ubr-box' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hUBR2 ubr-box' $ubr2-box stop_ _System_molecular_weight 8226 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ubr2-box _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ubr2-box _Molecular_mass . _Mol_thiol_state 'free and other bound' loop_ _Biological_function 'N-end rule recognition element' 'N-terminal recognition' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 75 _Mol_residue_sequence ; GPLGSLCGRVFKVGEPTYSC RDCAVDPTCVLCMECFLGSI HRDHRYRMTTSGGGGFCDCG DTEAWKEGPYCQKHE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 93 GLY 2 94 PRO 3 95 LEU 4 96 GLY 5 97 SER 6 98 LEU 7 99 CYS 8 100 GLY 9 101 ARG 10 102 VAL 11 103 PHE 12 104 LYS 13 105 VAL 14 106 GLY 15 107 GLU 16 108 PRO 17 109 THR 18 110 TYR 19 111 SER 20 112 CYS 21 113 ARG 22 114 ASP 23 115 CYS 24 116 ALA 25 117 VAL 26 118 ASP 27 119 PRO 28 120 THR 29 121 CYS 30 122 VAL 31 123 LEU 32 124 CYS 33 125 MET 34 126 GLU 35 127 CYS 36 128 PHE 37 129 LEU 38 130 GLY 39 131 SER 40 132 ILE 41 133 HIS 42 134 ARG 43 135 ASP 44 136 HIS 45 137 ARG 46 138 TYR 47 139 ARG 48 140 MET 49 141 THR 50 142 THR 51 143 SER 52 144 GLY 53 145 GLY 54 146 GLY 55 147 GLY 56 148 PHE 57 149 CYS 58 150 ASP 59 151 CYS 60 152 GLY 61 153 ASP 62 154 THR 63 155 GLU 64 156 ALA 65 157 TRP 66 158 LYS 67 159 GLU 68 160 GLY 69 161 PRO 70 162 TYR 71 163 CYS 72 164 GLN 73 165 LYS 74 166 HIS 75 167 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 3NY2 "Structure Of The Ubr-Box Of Ubr2 Ubiquitin Ligase" 100.00 75 100.00 100.00 5.68e-47 PDB 3NY3 "Structure Of The Ubr-Box Of Ubr2 In Complex With N-Degron" 100.00 75 100.00 100.00 5.68e-47 DBJ BAE25301 "unnamed protein product [Mus musculus]" 93.33 1755 98.57 100.00 4.06e-45 DBJ BAE27917 "unnamed protein product [Mus musculus]" 93.33 1755 97.14 98.57 1.25e-44 DBJ BAJ06628 "UBR2 [Rattus norvegicus]" 93.33 1755 97.14 100.00 6.65e-45 GB AAH24217 "UBR2 protein [Homo sapiens]" 93.33 439 100.00 100.00 4.14e-43 GB AAH64512 "UBR2 protein [Homo sapiens]" 93.33 439 100.00 100.00 4.14e-43 GB AAH75642 "Ubiquitin protein ligase E3 component n-recognin 2 [Mus musculus]" 93.33 1755 98.57 100.00 3.94e-45 GB AAI56046 "Ubiquitin protein ligase E3 component n-recognin 2, partial [synthetic construct]" 93.33 1755 100.00 100.00 6.09e-46 GB AAL32101 "ubiquitin ligase E3 alpha-II [Homo sapiens]" 93.33 1755 100.00 100.00 6.09e-46 REF NP_001170845 "E3 ubiquitin-protein ligase UBR2 isoform 2 [Mus musculus]" 93.33 1755 98.57 100.00 4.06e-45 REF NP_001171542 "E3 ubiquitin-protein ligase UBR2 [Rattus norvegicus]" 93.33 1755 97.14 100.00 6.65e-45 REF NP_001171730 "E3 ubiquitin-protein ligase UBR2 isoform 2 [Homo sapiens]" 93.33 439 100.00 100.00 4.14e-43 REF NP_001179567 "E3 ubiquitin-protein ligase UBR2 [Bos taurus]" 93.33 1756 98.57 100.00 3.22e-45 REF NP_056070 "E3 ubiquitin-protein ligase UBR2 isoform 1 [Homo sapiens]" 93.33 1755 100.00 100.00 6.09e-46 SP Q6WKZ8 "RecName: Full=E3 ubiquitin-protein ligase UBR2; AltName: Full=N-recognin-2; AltName: Full=Ubiquitin-protein ligase E3-alpha-2; " 93.33 1755 98.57 100.00 3.94e-45 SP Q8IWV8 "RecName: Full=E3 ubiquitin-protein ligase UBR2; AltName: Full=N-recognin-2; AltName: Full=Ubiquitin-protein ligase E3-alpha-2; " 93.33 1755 100.00 100.00 6.09e-46 TPG DAA16585 "TPA: ubiquitin protein ligase E3 component n-recognin 2 [Bos taurus]" 93.33 1756 98.57 100.00 3.22e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ubr2-box Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ubr2-box 'recombinant technology' . Escherichia coli . pGEX6P1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $ubr2-box 1 mM [U-15N] zinc 10 uM 'natural abundance' 'sodium chloride' 10 mM 'natural abundance' TRIS 20 mM 'natural abundance' beta-mercaptoethanol 2 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address BRUKER . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.02 . M pH 7.6 . pH pressure 1 . atm temperature 301 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0 external direct . . . 1 DSS N 15 'methyl protons' ppm 0 external direct . . . . 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '2D 1H-1H NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'hUBR2 ubr-box' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 95 3 LEU H H 8.40022 0.02753 1 2 95 3 LEU N N 121.28682 0.22762 1 3 96 4 GLY H H 7.86144 0.04237 1 4 96 4 GLY N N 109.45998 0.22701 1 5 97 5 SER H H 8.44424 0.03539 1 6 97 5 SER N N 117.62519 0.23219 1 7 98 6 LEU H H 8.01064 0.02618 1 8 98 6 LEU N N 119.93896 0.26609 1 9 99 7 CYS H H 7.38461 0.02353 1 10 99 7 CYS N N 120.89639 0.24351 1 11 100 8 GLY H H 8.08001 0.02172 1 12 100 8 GLY N N 102.74307 0.34402 1 13 101 9 ARG H H 8.25033 0.03138 1 14 101 9 ARG N N 122.92089 0.28848 1 15 102 10 VAL H H 8.10276 0.02469 1 16 102 10 VAL N N 126.59548 0.24765 1 17 103 11 PHE H H 7.70126 0.02878 1 18 103 11 PHE N N 126.03182 0.24557 1 19 104 12 LYS H H 9.19798 0.02863 1 20 104 12 LYS N N 124.12737 0.2528 1 21 105 13 VAL H H 8.27545 0.02204 1 22 105 13 VAL N N 120.45807 0.27619 1 23 106 14 GLY H H 8.71243 0.02909 1 24 106 14 GLY N N 114.79019 0.2374 1 25 107 15 GLU H H 7.59534 0.04136 1 26 107 15 GLU N N 119.32731 0.23284 1 27 109 17 THR H H 8.15659 0.03044 1 28 109 17 THR N N 111.65003 0.24273 1 29 110 18 TYR H H 8.96002 0.03408 1 30 110 18 TYR N N 120.27402 0.2248 1 31 111 19 SER H H 8.82407 0.0252 1 32 111 19 SER N N 113.91252 0.23894 1 33 112 20 CYS H H 7.44970 0.03125 1 34 112 20 CYS N N 123.77451 0.25361 1 35 113 21 ARG H H 9.28277 0.03561 1 36 113 21 ARG N N 128.06129 0.27081 1 37 114 22 ASP H H 8.52135 0.03284 1 38 114 22 ASP N N 118.06771 0.256 1 39 115 23 CYS H H 8.18906 0.03643 1 40 115 23 CYS N N 116.97998 0.22941 1 41 116 24 ALA H H 8.26680 0.03094 1 42 116 24 ALA N N 121.52483 0.28945 1 43 117 25 VAL H H 8.09968 0.03674 1 44 117 25 VAL N N 122.69312 0.26024 1 45 118 26 ASP H H 7.37362 0.02939 1 46 118 26 ASP N N 118.84435 0.28959 1 47 120 28 THR H H 8.36763 0.03382 1 48 120 28 THR N N 107.90180 0.27568 1 49 121 29 CYS H H 7.43667 0.0336 1 50 121 29 CYS N N 123.10814 0.28241 1 51 122 30 VAL H H 9.72350 0.06226 1 52 122 30 VAL N N 120.03683 0.27888 1 53 123 31 LEU H H 7.95810 0.04168 1 54 123 31 LEU N N 113.23468 0.23679 1 55 124 32 CYS H H 7.03058 0.03553 1 56 124 32 CYS N N 121.90364 0.23208 1 57 125 33 MET H H 9.77037 0.04136 1 58 125 33 MET N N 120.99576 0.22324 1 59 126 34 GLU H H 8.47404 0.03524 1 60 126 34 GLU N N 118.97495 0.2416 1 61 127 35 CYS H H 8.93258 0.02837 1 62 127 35 CYS N N 123.38214 0.20658 1 63 128 36 PHE H H 9.07341 0.02514 1 64 128 36 PHE N N 119.18223 0.23922 1 65 129 37 LEU H H 8.34951 0.03551 1 66 129 37 LEU N N 118.19425 0.23388 1 67 130 38 GLY H H 7.23207 0.02753 1 68 130 38 GLY N N 106.04511 0.25576 1 69 132 40 ILE H H 8.29415 0.02385 1 70 132 40 ILE N N 114.06971 0.25571 1 71 133 41 HIS H H 6.96156 0.02841 1 72 133 41 HIS N N 116.99135 0.21612 1 73 134 42 ARG H H 6.34857 0.0323 1 74 134 42 ARG N N 116.82705 0.22259 1 75 135 43 ASP H H 6.73558 0.03943 1 76 135 43 ASP N N 116.58913 0.24965 1 77 136 44 HIS H H 7.65942 0.03819 1 78 136 44 HIS N N 121.54683 0.21542 1 79 137 45 ARG H H 8.47017 0.02741 1 80 137 45 ARG N N 121.43745 0.25666 1 81 138 46 TYR H H 7.98622 0.03352 1 82 138 46 TYR N N 121.32213 0.22807 1 83 139 47 ARG H H 8.73802 0.04194 1 84 139 47 ARG N N 119.90817 0.27837 1 85 141 49 THR H H 8.50410 0.03914 1 86 141 49 THR N N 120.93950 0.25713 1 87 143 51 SER H H 8.91389 0.03027 1 88 143 51 SER N N 119.44209 0.19952 1 89 145 53 GLY H H 8.97505 0.04216 1 90 145 53 GLY N N 110.68284 0.31428 1 91 146 54 GLY H H 7.81439 0.03654 1 92 146 54 GLY N N 112.44775 0.28222 1 93 147 55 GLY H H 7.69177 0.03626 1 94 147 55 GLY N N 105.78366 0.23937 1 95 148 56 PHE H H 7.73060 0.02865 1 96 148 56 PHE N N 113.04458 0.20903 1 97 149 57 CYS H H 7.83201 0.04433 1 98 149 57 CYS N N 121.05697 0.26642 1 99 150 58 ASP H H 9.67130 0.02715 1 100 150 58 ASP N N 127.98857 0.29072 1 101 151 59 CYS H H 9.71636 0.02295 1 102 151 59 CYS N N 130.07935 0.24544 1 103 152 60 GLY H H 9.17718 0.03506 1 104 152 60 GLY N N 118.73461 0.24751 1 105 153 61 ASP H H 7.81803 0.0359 1 106 153 61 ASP N N 118.29341 0.26402 1 107 154 62 THR H H 8.11431 0.03482 1 108 154 62 THR N N 116.78495 0.24054 1 109 157 65 TRP H H 11.75862 0.03786 1 110 157 65 TRP N N 132.31100 0.26702 1 111 158 66 LYS H H 9.87321 0.0278 1 112 158 66 LYS N N 123.52733 0.26528 1 113 159 67 GLU H H 7.46749 0.02561 1 114 159 67 GLU N N 113.39203 0.21734 1 115 160 68 GLY H H 8.99821 0.02402 1 116 160 68 GLY N N 107.23325 0.25378 1 117 162 70 TYR H H 9.60499 0.03967 1 118 162 70 TYR N N 120.72015 0.26592 1 119 163 71 CYS H H 9.96667 0.02543 1 120 163 71 CYS N N 122.61680 0.24342 1 121 164 72 GLN H H 8.21045 0.02723 1 122 164 72 GLN N N 115.77637 0.22463 1 123 165 73 LYS H H 8.18839 0.03212 1 124 165 73 LYS N N 119.73978 0.22776 1 125 166 74 HIS H H 7.57423 0.02964 1 126 166 74 HIS N N 118.80986 0.40577 1 127 167 75 GLU H H 7.22411 0.03269 1 128 167 75 GLU N N 124.03387 0.23565 1 stop_ save_