data_1136 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 15N nuclear magnetic resonance studies of the B domain of Staphylococcal protein A: Sequence specific assignments of the imide 15N resonances of the proline residues and the interaction with human immunoglobin G ; _BMRB_accession_number 1136 _BMRB_flat_file_name bmr1136.str _Entry_type update _Submission_date 1995-07-31 _Accession_date 1996-03-25 _Entry_origination BMRB _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 Torigoe Hidetaka . . 2 Shimada Ichio . . 3 Waelchli Markus . . 4 Saito Akiko . . 5 Sato Moriyuki . . 6 Arata Yoji . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "15N chemical shifts" 3 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-14 revision BMRB 'Complete natural source information' 1999-06-14 revision BMRB 'Converted to BMRB NMR-STAR V 2.1 format' 1996-03-25 reformat BMRB 'Converted to the BMRB 1996-03-01 STAR flat-file format' 1995-07-31 original BMRB 'Last release in original BMRB flat-file format' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full ; Torigoe, Hidetaka, Shimada, Ichio, Waelchli, Markus, Saito, Akiko, Sato, Moriyuki, Arata, Yoji, "15N nuclear magnetic resonance studies of the B domain of Staphylococcal protein A: Sequence specific assignments of the imide 15N resonances of the proline residues and the interaction with human immunoglobin G," FEBS Lett. 269 (1), 174-176 (1990). ; _Citation_title ; 15N nuclear magnetic resonance studies of the B domain of Staphylococcal protein A: Sequence specific assignments of the imide 15N resonances of the proline residues and the interaction with human immunoglobin G ; _Citation_status published _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 Torigoe Hidetaka . . 2 Shimada Ichio . . 3 Waelchli Markus . . 4 Saito Akiko . . 5 Sato Moriyuki . . 6 Arata Yoji . . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 269 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 174 _Page_last 176 _Year 1990 _Details . save_ ################################## # Molecular system description # ################################## save_system_IgG_Fc_region-binding_protein _Saveframe_category molecular_system _Mol_system_name 'IgG Fc region-binding protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'IgG Fc region-binding protein' $IgG_Fc_region-binding_protein stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_IgG_Fc_region-binding_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'IgG Fc region-binding protein' _Name_variant 'protein A, B domain' _Molecular_mass . _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 60 _Mol_residue_sequence ; TADNKFNKEQQNAFYEILHL PNLNEEQRNGFIQSLKDDPS QSANLLAEAKKLNDAQAPKA ; loop_ _Residue_seq_code _Residue_label 1 THR 2 ALA 3 ASP 4 ASN 5 LYS 6 PHE 7 ASN 8 LYS 9 GLU 10 GLN 11 GLN 12 ASN 13 ALA 14 PHE 15 TYR 16 GLU 17 ILE 18 LEU 19 HIS 20 LEU 21 PRO 22 ASN 23 LEU 24 ASN 25 GLU 26 GLU 27 GLN 28 ARG 29 ASN 30 GLY 31 PHE 32 ILE 33 GLN 34 SER 35 LEU 36 LYS 37 ASP 38 ASP 39 PRO 40 SER 41 GLN 42 SER 43 ALA 44 ASN 45 LEU 46 LEU 47 ALA 48 GLU 49 ALA 50 LYS 51 LYS 52 LEU 53 ASN 54 ASP 55 ALA 56 GLN 57 ALA 58 PRO 59 LYS 60 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-09 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 BMRB 1120 "IgG Fc region-binding protein" 100.00 60 100.00 100.00 5.59e-33 BMRB 2353 "IgG Fc region-binding protein" 100.00 60 100.00 100.00 5.59e-33 BMRB 4324 "B domain of protein A" 96.67 58 100.00 100.00 2.03e-31 BMRB 4325 "dimer of B domain of protein A" 98.33 123 100.00 100.00 2.84e-31 PDB 1BDC "Staphylococcus Aureus Protein A, Immunoglobulin-Binding B Domain, Nmr, 10 Structures" 100.00 60 100.00 100.00 5.59e-33 PDB 1BDD "Staphylococcus Aureus Protein A, Immunoglobulin-Binding B Domain, Nmr, Minimized Average Structure" 100.00 60 100.00 100.00 5.59e-33 PDB 1SS1 "Staphylococcal Protein A, B-Domain, Y15w Mutant, Nmr, 25 Structures" 100.00 62 98.33 100.00 1.26e-32 PDB 4NPF "High-resolution Structure Of Two Tandem B Domains Of Staphylococcal Protein A Connected By The Conserved Linker" 96.67 116 98.28 100.00 3.24e-30 EMBL CAA49867 "staphylococcal protein A [synthetic construct]" 98.33 88 98.31 98.31 1.05e-31 GB AAA72944 "bifunctional fusion protein, partial [synthetic construct]" 98.33 308 98.31 100.00 1.34e-30 GB ABX88876 "single chain surrogate light chain variable domain [synthetic construct]" 98.33 190 100.00 100.00 1.31e-31 GB ABX88877 "single chain surrogate light chain variable domain [synthetic construct]" 98.33 214 100.00 100.00 1.59e-31 GB ACX42323 "4xProteinA tag [Recombineering donor plasmid pDOC-P]" 61.67 230 97.30 97.30 6.85e-15 GB EEV74738 "immunoglobulin G-binding protein A [Staphylococcus aureus A8115]" 75.00 296 100.00 100.00 3.25e-20 REF WP_031789382 "hypothetical protein, partial [Staphylococcus aureus]" 56.67 303 97.06 97.06 1.18e-12 REF WP_052996913 "hypothetical protein, partial [Staphylococcus aureus]" 60.00 242 100.00 100.00 2.26e-13 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $IgG_Fc_region-binding_protein . 1280 Bacteria . Staphylococcus aureus 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 $IgG_Fc_region-binding_protein 'not available' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Saveframe_category sample _Sample_type solution _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save__1 _Saveframe_category NMR_applied_experiment _Sample_label $sample_one save_ ####################### # Sample conditions # ####################### save_sample_condition_set_one _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5 . na temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_par_set_one _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_citation_label _Correction_value_citation_label [15N]CH3NO2 N . . ppm 0 . . . . . $entry_citation $entry_citation 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_chemical_shift_assignment_data_set_one _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_one stop_ _Sample_conditions_label $sample_condition_set_one _Chem_shift_reference_set_label $chem_shift_reference_par_set_one _Mol_system_component_name 'IgG Fc region-binding protein' _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 . 21 PRO N N 136.98 . 1 2 . 39 PRO N N 138.68 . 1 3 . 58 PRO N N 137.4 . 1 stop_ save_