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2kwd

Supramolecular Protein Structure Determination by Site-Specific Long-Range Intermolecular Solid State NMR Spectroscopy

Method: SOLID-STATE NMR Dmax: 64.4 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Immunoglobulin G-binding protein G

;Streptococcus sp. 'group G' ;

UniProt P19909

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein homooligomer Homooligomer Protein × 5 PDB declaration: pentameric（5） Consistent with protein copy count Chain A； UniProt 304–357 Chain B； UniProt 304–357 Chain C； UniProt 304–357 Chain D； UniProt 304–357 Chain E； UniProt 304–357 Mutation：T2Q No other associated polymer SOLID-STATE NMR NMR measurement conditions：273 K；Pressure 1 NMR sample composition：20 mg [U-1,3-13C-glycerol; U-100% 15N] GB1-1, solid | solid NMR sample composition：50 % [U-1,3-13C-glycerol] GB1-2, 50 % [U-99% 15N] GB1-3, solid | solid NMR sample composition：20 mg [U-2-13C-glycerol; U-100% 15N] GB1-4, solid | solid Resolution not provided

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 2KWD Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
10DV Room Temperature X-Ray Structure of SARS CoV-2 Main Protease Intermediate Precursor with Ensitrelvir (ESV) Deposited 2026-01-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 304–357（54 aa）
Chain B 304–357（54 aa）
Mutation：C145A Mutation：C145A 7YY 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；294 K；18-21% PEG3350, 0.1 M Bis-Tris, pH 6.5 or 7.0
Resolution 2.05 Å R-free 0.234
1FCC CRYSTAL STRUCTURE OF THE C2 FRAGMENT OF STREPTOCOCCAL PROTEIN G IN COMPLEX WITH THE FC DOMAIN OF HUMAN IGG Deposited 1995-01-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 372–427（56 aa）
Chain D 372–427（56 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 3.20 Å R-free 0.357
1FCL DELTA1.5: A COMPUTATIONALLY DESIGNED CORE VARIANT OF THE B1 DOMAIN OF STREPTOCOCCAL PROTEIN G Deposited 2000-07-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–357（56 aa） Fragment：GB1_DELTA1.5
Mutation：Y3F, L7I, F30L, A34I, V39I, F52W No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；298 K；Ionic strength (raw mmCIF value) 50 mM sodium phosphate；Pressure Atmospheric
NMR sample composition 1 mM unlabeled protein in 50 mM sodium phosphate, pH 6.0 | either D2O or 90:10 H2O:D2O
Resolution not provided
1FD6 DELTA0: A COMPUTATIONALLY DESIGNED CORE VARIANT OF THE B1 DOMAIN OF STREPTOCOCCAL PROTEIN G Deposited 2000-07-19 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–357（56 aa） Fragment：GB1_DELT0
Mutation：Y3F, L7I, V39I No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；298 K；Ionic strength (raw mmCIF value) 50 mM sodium phosphate；Pressure ambient
NMR sample composition 3 mM protein in 50 mM sodium phosphate, pH 6.0 | either D2O or 90:10 H2O:D2O
Resolution not provided
1GB4 HYPERTHERMOPHILIC VARIANT OF THE B1 DOMAIN FROM STREPTOCOCCAL PROTEIN G, NMR, 47 STRUCTURES Deposited 1998-01-19 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 372–427（56 aa） Fragment：B1 DOMAIN
Mutation：V1M, Y4F, V7I, T17I, T19I, T26E, V30I, V40I No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5；308 K；Ionic strength (raw mmCIF value) 50mM；Pressure ATMOSPHERIC
NMR sample composition H2O/D2O
Resolution not provided
1GJS Solution structure of the Albumin binding domain of Streptococcal Protein G Deposited 2001-08-02 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–299（46 aa） Fragment：ALBUMIN-BINDING DOMAIN RESIDUES 254-299
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；300 K；Pressure 1
Resolution not provided
1GJT Solution structure of the Albumin binding domain of Streptococcal Protein G Deposited 2001-08-02 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 254–299（46 aa） Fragment：ALBUMIN-BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；300 K；Pressure 1
Resolution not provided
1IBX NMR STRUCTURE OF DFF40 AND DFF45 N-TERMINAL DOMAIN COMPLEX Deposited 2001-03-29 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 302–357（56 aa） Fragment：B1 DOMAIN OF PROTEIN G FUSED WITH N-TERMINAL DOMAIN (CIDE DOMAIN) OF DFF45
Mutation：T(-43)Q No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6；296 K；Ionic strength (raw mmCIF value) 50 mM NaCl；Pressure ambient
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex 90% deuterated, U-15N/13C labeled DFF40 non-labeled DFF45 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex U-13C labeled DFF45 non-labeled DFF40 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl D2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex 90% deuterated, U-15N/13C labeled DFF45 non-labeled DFF40 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex U-15N labeled DFF40 non-labeled DFF45 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex U-15N labeled DFF45 non-labeled DFF40 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex perdeuterated, U-15N labeled DFF40 non-labeled DFF45 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex perdeuterated, U-15N labeled DFF45 non-labeled DFF40 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex 10% 13C labeled DFF40 non-labeled DFF45 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex 10% 13C labeled DFF45 non-labeled DFF40 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl 10%D2O/90%H2O
NMR sample composition 0.6 mM DFF40/DFF45 NTD complex U-13C labeled DFF40 non-labeled DFF45 | 20 mM Phosphate buffer 5 mM DTT, 50 mM NaCl D2O
Resolution not provided
1P7E GB3 solution structure obtained by refinement of X-ray structure with dipolar couplings Deposited 2003-05-01 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 444–497（54 aa） Fragment：THIRD IGG-BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；300 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 25 mM NaH2PO4/Na2HPO4, 0.2 mg/mL NaN3, 1.5 mM GB3 protein and aligning media
Resolution not provided
1P7F GB3 solution structure obtained by refinement of X-ray structure with dipolar couplings Deposited 2003-05-01 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 444–497（54 aa） Fragment：THIRD IGG-BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；300 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 25 mM NaH2PO4/Na2HPO4, 0.2 mg/mL NaN3, 1.5 mM GB3 protein and aligning media
Resolution not provided
1ZXH G311 mutant protein Deposited 2005-06-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 443–497（55 aa）
Mutation：yes No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；275 K；Ionic strength (raw mmCIF value) 0.1M；Pressure ambient
NMR sample composition G311 mutant protein, 0.1 M KPi, pH7.0, ~0.6 M GuHCl. | 0.1 M KPi, pH7.0, ~0.6 M GuHCl.
Resolution not provided
2GI9 Backbone Conformational Constraints in a Microcrystalline U-15N-Labeled Protein by 3D Dipolar-Shift Solid-State NMR Spectroscopy Deposited 2006-03-28 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Mutation：T2Q No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；5mM Acetate 3.8, 150mM NaCl, 50% MPD and 20% IPA, pH 4.5
Resolution 1.14 Å R-free 0.181
2I2Y Solution structure of the RRM of SRp20 bound to the RNA CAUC Deposited 2006-08-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: dimeric
Chain A 304–357（54 aa） Fragment：RRM domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.4；315 K；Pressure ambient
NMR sample composition 1mM SRp20 13C-15N labelled + 1 mM CAUC natural abundance in 50 mM sodium dihydrogenophosphate, pH 6.4, 1mM DTT; | 10% D2O,90% H2O or 100% D2O
NMR sample composition 1mM SRp20 15N labelled + 1 mM CAUC natural abundance in 1mM SRp20 15N labelled in 50 mM sodium dihydrogenophosphate, pH 6.4, 1mM DTT | 10% D2O, 90% H2O or 100% D2O
NMR sample composition 1mM SRp20 15N labelled + 1 mM CAUC with 13C labelled riboses and natural abundance bases in 50 mM sodium dihydrogenophosphate, pH 6.4, 1mM DTT; | 10% D2O, 90% H2O or 100% D2O
NMR sample composition 1mM SRp20 15N labelled + 1 mM CAUC with A2 and U3 riboses 13C labelled and natural abundance of other riboses and all bases in 50 mM sodium dihydrogenophosphate, pH 6.4, 1mM DTT; | 10% D2O, 90% H2O or 100% D2O
NMR sample composition 1mM SRp20 15N labelled + 1 mM CAUC with C1 and C4 riboses 13C labelled and natural abundance of other riboses and all bases, in 50 mM sodium dihydrogenophosphate, pH 6.4, 1mM DTT; | 10% D2O, 90% H2O or 100% D2O
Resolution not provided
2I38 Solution structure of the RRM of SRp20 Deposited 2006-08-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa） Fragment：RRM domain
Mutation：E129D No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.8；315 K；Pressure ambient
NMR sample composition 1mM SRp20 13C-15N labelled in 50 mM sodium dihydrogenophosphate, pH 5.8, 1mM DTT; | 10% D2O, 90% H2O or 100% D2O
NMR sample composition 1mM SRp20 15N labelled in 50 mM sodium dihydrogenophosphate, pH 5.8, 1mM DTT; | 10% D2O, 90% H2O or 100% D2O
Resolution not provided
2IGG DETERMINATION OF THE SOLUTION STRUCTURES OF DOMAINS II AND III OF PROTEIN G FROM STREPTOCOCCUS BY 1H NMR Deposited 1992-08-26 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 367–430（64 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR mmCIF provides none of the parsed conditions Resolution not provided
2JSV Dipole tensor-based refinement for atomic-resolution structure determination of a nanocrystalline protein by solid-state NMR spectroscopy Deposited 2007-07-16 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 303–357（55 aa） Fragment：2-1 repeat
Mutation：T2Q No recorded non-water small molecule SOLID-STATE NMR
NMR measurement conditions pH 5.5；281 K；Pressure ambient
NMR sample composition 14 mg/mL [U-99% 13C; U-99% 15N] protein, (4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O | H2O
NMR sample composition 14 mg/mL [U-99% 15N] protein, (4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O | H2O
NMR sample composition 14 mg/mL [U-100% 13C; U-100% 15N] protein, (4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O | H2O
NMR sample composition 14 mg/mL (1,3) 13C glycerol, U15N protein, (4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O | H2O
NMR sample composition 14 mg/mL 2 13C glycerol, Uniform 15N protein, (4R)-2-Metylpentane-2,4-Diol (50% v/v), Isopropyl alcohol (25% v/v), 25 mg/mL GB1 in 50 mM sodium phosphate buffered H2O | H2O
Resolution not provided
2KHU Solution Structure of the Ubiquitin-Binding Motif of Human Polymerase Iota Deposited 2009-04-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa） Fragment：UNP residues 304-357, 676-715
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；25 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient
NMR sample composition 1-4 mM [U-100% 13C; U-100% 15N] D2O-1, 1-4 mM [U-100% 13C; U-100% 15N] H2O-2, 100% D2O | 100% D2O
Resolution not provided
2KHW Solution Structure of the human Polymerase iota UBM2-Ubiquitin Complex Deposited 2009-04-13 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 304–357（54 aa） Fragment：UNP residues 304-357, 676-715
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR sample composition 1 mM [U-100% 15N] entity_1-1, 4 mM entity_2-2, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 3 mM [U-100% 15N] entity_1-3, 3 mM [U-100% 15N] entity_2-4, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 3 mM [U-100% 13C; U-100% 15N] entity_1-5, 3 mM [U-100% 13C; U-100% 15N] entity_2-6, 100% D2O | 100% D2O
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] entity_1-7, 4 mM entity_2-8, 100% D2O | 100% D2O
Resolution not provided
2KN4 The structure of the RRM domain of SC35 Deposited 2009-08-14 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa） Fragment：UNP residues 304-357 from P19909, UNP residues 9-101 from Q01130
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；305 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] SC35-1, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] SC35-2, 100% D2O | 100% D2O
NMR sample composition 0.5 mM [U-100% 15N] SC35-3, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM SC35-4, 100% D2O | 100% D2O
Resolution not provided
2KQ4 Atomic resolution protein structure determination by three-dimensional transferred echo double resonance solid-state nuclear magnetic resonance spectroscopy Deposited 2009-10-27 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 303–357（55 aa） Fragment：UNP residues 303 to 357
Mutation：T2Q No recorded non-water small molecule SOLID-STATE NMR
NMR measurement conditions Pressure ambient
NMR sample composition 30 mg 1,3-13C glycerol, U 15N entity-1, 50 v/v MPTG-2, solid | solid
NMR sample composition 30 mg 2-13C glycerol, U 15N entity-3, 50 v/v MPTG-4, solid | solid
Resolution not provided
2LUM Three-State Ensemble obtained from eNOEs of the Third Immunoglobulin Binding Domain of Protein G (GB3) Deposited 2012-06-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 444–497（54 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 4 mM [U-95% 13C; U-95% 15N] Third Immunoglobulin G-binding protein G, 50 mM potassium phosphate, 0.5 mg/mL sodium azide, 50 mM sodium chloride, 97% H2O/3% D2O | 97% H2O/3% D2O
Resolution not provided
2N9K 1H, 13C, and 15N Chemical Shift Assignments for in vitro GB1 Deposited 2015-11-26 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa） Fragment：UNP residues 303-357
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；295 K；Ionic strength (raw mmCIF value) 0.31；Pressure ambient
NMR sample composition 1 mM [U-100% 13C; U-100% 15N] Protein G B1-1, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2N9L 1H, 13C, and 15N Chemical Shift Assignments for in-cell GB1 Deposited 2015-11-30 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa） Fragment：UNP residues 303-357
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；295 K；Ionic strength (raw mmCIF value) 0.31；Pressure ambient
NMR sample composition 250 uM [U-100% 13C; U-100% 15N] Protein G B1-1, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2OED GB3 solution structure obtained by refinement of X-ray structure with dipolar couplings Deposited 2006-12-29 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 444–497（54 aa） Fragment：THIRD IGG-BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；300 K；Ionic strength (raw mmCIF value) 0.05；Pressure ambient
NMR sample composition 25 MM NAH2PO4/NA2HPO4, 0.2 MG/ML NAN3, 1.5 MM GB3 PROTEIN AND ALIGNING MEDIA, 90% H2O, 10% D2O | 90% H2O/10% D2O
Resolution not provided
2ON8 Gbeta1 stabilization by in vitro evolution and computational design Deposited 2007-01-23 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa）
Mutation：T1M, T2Q, Y3F, V6I, T16I, T18L, T25E, V29K, V39I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；50mM Na acetate, pH 5.0, 17 mg/ml protein mixed with equal volume of 2.3M ammonium suphate, 0.1M sodium acetate, pH 4.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 1.35 Å R-free 0.195
2ONQ Gbeta1 stabilization by in vitro evolution and computational design Deposited 2007-01-24 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa） Fragment：residues 373-427
Mutation：T2Q, Y3F, L7I, T16I, T18I, T25E, V29F, V39I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293.15 K；50mM sodium acetate, 20mg/ml protein solution mixed in equal volume of crystallization buffer containing 33% PEG monomethylether, 0.1M calcium chloride, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K
Resolution 1.70 Å R-free 0.229
2PLP Ultra high resolution backbone conformation of protein GB1 from residual dipolar couplings alone Deposited 2007-04-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–356（54 aa） Fragment：First Immunoglobin binding domain (GB1)
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 5.6；300 K；Ionic strength (raw mmCIF value) 50mM salt；Pressure ambient
NMR sample composition perdeuterated (triple labelled 15N, 13C, 2D) | Partially aligned in bacteriophage and lyotrophic alcohol medium.
Resolution not provided
2QMT Crystal Polymorphism of Protein GB1 Examined by Solid-state NMR and X-ray Diffraction Deposited 2007-07-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa） Fragment：immunoglobulin beta 1 binding domain (residues 303-357)
Mutation：T2Q PO4 PHOSPHATE ION × 1 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 IPA ISOPROPYL ALCOHOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；277 K；50 mM NaCl, 50% MPD, 6% IPA, 25 mM Acetate, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 1.05 Å R-free 0.207
3FIL Structural and energetic determinants for hyperstable variants of GB1 obtained from in-vitro evolution Deposited 2008-12-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 303–357（55 aa） Fragment：immunoglobulin binding domain, UNP residues 303-357
Chain B 303–357（55 aa） Fragment：immunoglobulin binding domain, UNP residues 303-357
Mutation：T2Q, E15V, T16L, T18I, N37L Non-standard monomer：Yes (specific site not provided by mmCIF) Mutation：T2Q, E15V, T16L, T18I, N37L CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293.15 K；protein solution: 50mM sodium acetate pH 5.6, 50mg/ml protein. reservoir solution: 25% PEG 3350, 0.1M citric acids pH 3.5. Drop 400nl protein solution & 400nl reservoir solution, 80 micro-l reservoir, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
Resolution 0.88 Å R-free 0.149
3UI3 Structural and Biochemical Characterization of HP0315 from Helicobacter pylori as a VapD Protein with an Endoribonuclease Activity Deposited 2011-11-04 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 304–357（54 aa）
Chain B 304–357（54 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；0.2M (NH4)2SO4, 9% PEG3350, 5-8% glycerol, 100mM 2-(N-morpholino)ethanesulfonic acid', pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.284
3V3X Nitroxide Spin Labels in Protein GB1: N8/K28 Double Mutant Deposited 2011-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 304–357（54 aa）
Chain C 304–357（54 aa）
Mutation：C8N Mutation：C8N MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 3 2PE NONAETHYLENE GLYCOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；150 mM sodium acetate pH 4.5, 18% w/v PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.288
3V3X Nitroxide Spin Labels in Protein GB1: N8/K28 Double Mutant Deposited 2011-12-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 304–357（54 aa）
Chain D 304–357（54 aa）
Mutation：C8N Mutation：C8N MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 4 GOL GLYCEROL × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；150 mM sodium acetate pH 4.5, 18% w/v PEG 3350 , VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.288
4WH4 Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H Deposited 2014-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Mutation：I6H/N8H/K28H/Q32H SO4 SULFATE ION × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.75 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M HEPES pH 7.5
Resolution 2.20 Å R-free 0.256
4WH4 Protein GB1 Quadruple Mutant I6H/N8H/K28H/Q32H Deposited 2014-09-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 304–357（54 aa）
Mutation：I6H/N8H/K28H/Q32H GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；1.75 M ammonium sulfate, 0.2 M sodium chloride, 0.1 M HEPES pH 7.5
Resolution 2.20 Å R-free 0.256
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMG Nitroxide Spin Labels in Protein GB1: E15 Mutant Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：E15C No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；0.1 M magnesium chloride, 0.1 M Tris pH 4.5, 20% w/v PEG 4000
Resolution 2.20 Å R-free 0.218
5BMH Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form B Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：T44C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；0.2 M potassium sodium tartrate, 0.2 M sodium citrate pH 6.0, 2 M ammonium sulfate
Resolution 1.60 Å R-free 0.175
5BMI Nitroxide Spin Labels in Protein GB1: T44 Mutant, Crystal Form A Deposited 2015-05-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa） Fragment：UNP residues 304-357
Mutation：T44C MTN S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；0.1 M HEPES pH 7.5, 1.2 M sodium citrate
Resolution 2.50 Å R-free 0.251
5HFY Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35 Deposited 2016-01-07 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2 M sodium acetate pH 4.6, 20% w/v PEG 4000
Resolution 1.95 Å R-free 0.230
5HFY Backbone Modifications in the Protein GB1 Helix: beta-2-Ala24, beta-3-Lys28, beta-3-Lys31, beta-3-Asn35 Deposited 2016-01-07 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.6；298 K；0.2 M sodium acetate pH 4.6, 20% w/v PEG 4000
Resolution 1.95 Å R-free 0.230
5HG2 Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35 Deposited 2016-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M sodium cacodylate pH 6.5, 0.1 M magnesium acetate, 20% w/v PEG 4000
Resolution 1.80 Å R-free 0.216
5HG2 Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35 Deposited 2016-01-07 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M sodium cacodylate pH 6.5, 0.1 M magnesium acetate, 20% w/v PEG 4000
Resolution 1.80 Å R-free 0.216
5HG2 Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35 Deposited 2016-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M sodium cacodylate pH 6.5, 0.1 M magnesium acetate, 20% w/v PEG 4000
Resolution 1.80 Å R-free 0.216
5HG2 Backbone Modifications in the Protein GB1 Helix: beta-3-Ala24, beta-3-Lys28, beta-3-Lys31, beta-2-Asn35 Deposited 2016-01-07 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) GOL GLYCEROL × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；0.1 M sodium cacodylate pH 6.5, 0.1 M magnesium acetate, 20% w/v PEG 4000
Resolution 1.80 Å R-free 0.216
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5HI1 Backbone Modifications in the Protein GB1 Helix: Aib24, beta-3-Lys28, beta-3-Lys31, Aib35 Deposited 2016-01-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 302–357（56 aa） Fragment：UNP residues 302-357
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2 M ammonium sulfate, 0.1M sodium acetate pH 4.5, 20% (w/v) PEG 4000
Resolution 2.15 Å R-free 0.252
5LDE Crystal structure of a vFLIP-IKKgamma stapled peptide dimer Deposited 2016-06-24 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 304–356（53 aa） Fragment：UNP residues 304-356
Chain B 304–356（53 aa） Fragment：UNP residues 304-356
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；299 K；1.2M Ammonium Sulphate, 0.05M tri-sodium citrate, 3% isopropanol, 0.1-0.2% vitamin B12
Resolution 3.38 Å R-free 0.290
5UB0 Solution NMR Structure of NERD-C, a natively folded tetramutant of the B1 domain of streptococcal protein G (GB1) Deposited 2016-12-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa） Fragment：UNP residues 373-427
Mutation：Y3F/L7I/F30L/V39I No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 10 mM sodium phosphate；Pressure 1
NMR sample composition 1.0 mM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 1.0 mM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1.0 mM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100% D2O | 100% D2O
Resolution not provided
5UBS Solution NMR Structure of NERD-S, a natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) with a solvent-exposed Trp43 Deposited 2016-12-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa） Fragment：UNP residues 373-427
Mutation：Y3F/L7I/A34F/V39L/V54I No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 10 mM sodium phosphate；Pressure 1
NMR sample composition 1 mM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1 mM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 100% D2O | 100% D2O
Resolution not provided
5UCE Solution NMR structure of the major species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) Deposited 2016-12-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa） Fragment：UNP residues 373-427
Mutation：Y3F/L5A/L7I/A34F/V39L No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 10 mM sodium phosphate；Pressure 1
NMR sample composition 200 uM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O, 10% D2O | 90% H2O/10% D2O
NMR sample composition 200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 100% D2O | 100% D2O
Resolution not provided
5UCF Solution NMR-derived model of the minor species of DANCER-2, a dynamic and natively folded pentamutant of the B1 domain of streptococcal protein G (GB1) Deposited 2016-12-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa） Fragment：UNP residues 373-427
Mutation：Y3F/L5A/L7I/A34F/V39L No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 10 mM sodium phosphate；Pressure 1
NMR sample composition 200 uM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 100% D2O | 100% D2O
NMR sample composition 200 uM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100 uM EDTA, 0.02 % sodium azide, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6C9O Selenomethionine mutant (V29Sem) of protein GB1 examined by X-ray diffraction Deposited 2018-01-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Mutation：V29M Non-standard monomer：Yes (specific site not provided by mmCIF) MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；283.15 K；46% MPD, 20% IPA, 25 mM sodium acetate pH 4.5
Resolution 1.20 Å R-free 0.179
6C9O Selenomethionine mutant (V29Sem) of protein GB1 examined by X-ray diffraction Deposited 2018-01-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 304–357（54 aa）
Mutation：V29M Non-standard monomer：Yes (specific site not provided by mmCIF) MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.5；283.15 K；46% MPD, 20% IPA, 25 mM sodium acetate pH 4.5
Resolution 1.20 Å R-free 0.179
6CHE Selenomethionine mutant (A34Sem) of protein GB1 examined by X-ray diffraction Deposited 2018-02-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Mutation：A34Sem Non-standard monomer：Yes (specific site not provided by mmCIF) MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.9；283.15 K；49% MPD 20% IPA 25 mM sodium acetate pH 4.9 20 mg/ml protein in 25 mM sodium acetate buffer pH 5.5 and 2 mM TCEP
Resolution 1.10 Å R-free 0.147
6CPZ Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction Deposited 2018-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Mutation：I6Sem Non-standard monomer：Yes (specific site not provided by mmCIF) MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；283.15 K；48% MPD 20% IPA 25 mM sodium acetate buffer pH 4.7 20 mg/ml protein in 25 mM sodium acetate buffer pH 5.5 and 2 mM TCEP
Resolution 1.12 Å R-free 0.156
6CPZ Selenomethionine mutant (I6Sem) of protein GB1 examined by X-ray diffraction Deposited 2018-03-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 304–357（54 aa）
Mutation：I6Sem Non-standard monomer：Yes (specific site not provided by mmCIF) MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；283.15 K；48% MPD 20% IPA 25 mM sodium acetate buffer pH 4.7 20 mg/ml protein in 25 mM sodium acetate buffer pH 5.5 and 2 mM TCEP
Resolution 1.12 Å R-free 0.156
6CTE 77Se-NMR probes the protein environment of selenomethionine Deposited 2018-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Mutation：V39Sem Non-standard monomer：Yes (specific site not provided by mmCIF) MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 PO4 PHOSPHATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；283.15 K；49% MPD 20% IPA 25 mM sodium acetate pH 4.7 20 mg/ml protein concentration 25 mM sodium acetate pH 5.5 non-reducing
Resolution 1.20 Å R-free 0.175
6CTE 77Se-NMR probes the protein environment of selenomethionine Deposited 2018-03-22 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 304–357（54 aa）
Mutation：V39Sem Non-standard monomer：Yes (specific site not provided by mmCIF) MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 PO4 PHOSPHATE ION × 3 MRD (4R)-2-METHYLPENTANE-2,4-DIOL × 1 ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.7；283.15 K；49% MPD 20% IPA 25 mM sodium acetate pH 4.7 20 mg/ml protein concentration 25 mM sodium acetate pH 5.5 non-reducing
Resolution 1.20 Å R-free 0.175
6HKA The solution structure of the micelle-associated FATC domain of the human protein kinase ataxia telangiectasia mutated (ATM) Deposited 2018-09-06 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 100；Pressure 1
NMR sample composition 100 mM sodium chloride, 50 mM TRIS, 150 mM [U-100% 2H] DPC, 0.4 mM [U-100% 13C; U-100% 15N] 13C-15N-hATMfatc, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 100 mM sodium chloride, 50 mM TRIS, 150 mM [U-100% 2H] DPC, 0.4 mM [U-10% 13C] 13C-hATMfatc, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition 100 mM sodium chloride, 50 mM TRIS, 150 mM [U-100% 2H] DPC, 0.5 mM [U-100% 15N] 15N-hATMfatc, 95% H2O/5% D2O | 95% H2O/5% D2O
Resolution not provided
6HPJ Structure of human SRSF1 RRM1 bound to AACAAA RNA Deposited 2018-09-21 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: dimeric
Chain B 304–357（54 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；313 K；Ionic strength (raw mmCIF value) 120；Pressure atmospheric
NMR sample composition 0.5 mM [U-99% 15N] SRSF1 RRM1, 0.5 mM RNA (5'-R(*AP*AP*CP*AP*AP*A)-3'), 100% D2O | 100% D2O
NMR sample composition 0.5 mM [U-99% 15N] SRSF1 RRM1, 0.5 mM NA RNA (5'-R(*AP*AP*CP*AP*AP*A)-3'), 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 0.5 mM [U-99% 13C; U-99% 15N] SRSF1 RRM1, 0.5 mM NA RNA (5'-R(*AP*AP*CP*AP*AP*A)-3'), 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
6NJF Solution NMR Structure of DANCER3-F34A, a rigid and natively folded single mutant of the dynamic protein DANCER-3 Deposited 2019-01-03 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 373–427（55 aa） Fragment：residues 373-427
Mutation：Y3F, V7I, V39L, V54I No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；298 K；Ionic strength (raw mmCIF value) 10 mM sodium phosphate；Pressure 1
NMR sample composition 1.0 mM [U-98% 15N] protein (GB1), 10 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1.0 mM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition 1.0 mM [U-99% 13C; U-98% 15N] protein (GB1), 10 mM sodium phosphate, 100% D2O | 100% D2O
Resolution not provided
6NL6 Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Mutation：T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, D36H, N35K, D36A, N37Q ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；70 mM acetic Acid pH 3.6, 30 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 100 mM NaCl, and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.214
6NL6 Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 303–357（55 aa）
Mutation：T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, D36H, N35K, D36A, N37Q ZN ZINC ION × 3 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；70 mM acetic Acid pH 3.6, 30 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 100 mM NaCl, and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.214
6NL6 Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 303–357（55 aa）
Mutation：T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, D36H, N35K, D36A, N37Q ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；70 mM acetic Acid pH 3.6, 30 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 100 mM NaCl, and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.214
6NL6 Crystal structure of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, N35K, D36H, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 303–357（55 aa）
Mutation：T16F, T18A, V21E, T25L, K28Y, V29I, K31R, Q32H, Y33L, D36H, N35K, D36A, N37Q ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；70 mM acetic Acid pH 3.6, 30 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 100 mM NaCl, and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.214
6NL7 Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Mutation：T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q ZN ZINC ION × 2 ACT ACETATE ION × 2 NA SODIUM ION × 2 CL CHLORIDE ION × 1 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；80 mM acetic acid pH 3.6, 20 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 200 mM NaCl and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.158
6NL7 Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 303–357（55 aa）
Mutation：T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q ZN ZINC ION × 2 ACT ACETATE ION × 3 NA SODIUM ION × 1 PO4 PHOSPHATE ION × 1 DPO DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；80 mM acetic acid pH 3.6, 20 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 200 mM NaCl and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.158
6NL7 Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 303–357（55 aa）
Mutation：T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q ACT ACETATE ION × 2 NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；80 mM acetic acid pH 3.6, 20 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 200 mM NaCl and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.158
6NL7 Crystal structure of B1 immunoglobulin-binding domain of Streptococcal Protein G (T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q) Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 303–357（55 aa）
Mutation：T16F, T18A, V21H, T25H, K28Y, V29I, K31R, Q32A, Y33L, N35K, D36A, N37Q ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；80 mM acetic acid pH 3.6, 20 mM acetic acid pH 5.8, 30% 2,4-methylpentanediol, 200 mM NaCl and 20 mM zinc sulfate
Resolution 1.40 Å R-free 0.158
6NL8 Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-zinc Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 303–357（55 aa）
Mutation：L12H, T16L, V29H, Y33H, N37L ZN ZINC ION × 4 CL CHLORIDE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；18.5% PEG 400 0.1M HEPES pH 7.5 50 mM MgCl2, 5mM zinc sulfate
Resolution 1.50 Å R-free 0.163
6NL9 Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Mutation：L12H, T16L, V29H, Y33H, N37L MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000 0.1M HEPES pH 7.5 200 mM MgCl2
Resolution 1.70 Å R-free 0.224
6NL9 Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 303–357（55 aa）
Mutation：L12H, T16L, V29H, Y33H, N37L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000 0.1M HEPES pH 7.5 200 mM MgCl2
Resolution 1.70 Å R-free 0.224
6NL9 Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 303–357（55 aa）
Mutation：L12H, T16L, V29H, Y33H, N37L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000 0.1M HEPES pH 7.5 200 mM MgCl2
Resolution 1.70 Å R-free 0.224
6NL9 Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, T16L, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 303–357（55 aa）
Mutation：L12H, T16L, V29H, Y33H, N37L NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 4000 0.1M HEPES pH 7.5 200 mM MgCl2
Resolution 1.70 Å R-free 0.224
6NLA Crystal structure of de novo designed metal-controlled dimer of B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-zinc Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 303–357（55 aa）
Mutation：L12H, E15V, T16L, T18I, V29H, Y33H, N37L ZN ZINC ION × 4 CL CHLORIDE ION × 6 GOL GLYCEROL × 2 NA SODIUM ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；4M NaCl 0.1M HEPES pH 7.5 50mM MgCl2, 5mM zinc sulfate
Resolution 1.34 Å R-free 0.128
6NLB Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Mutation：L12H, E15V, T16L, T18I, V29H, Y33H, N37L MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；31% PEG 4,000 0.1M Tris pH 8.5 200mM MgCl2
Resolution 2.30 Å R-free 0.258
6NLB Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 303–357（55 aa）
Mutation：L12H, E15V, T16L, T18I, V29H, Y33H, N37L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；31% PEG 4,000 0.1M Tris pH 8.5 200mM MgCl2
Resolution 2.30 Å R-free 0.258
6NLB Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 303–357（55 aa）
Mutation：L12H, E15V, T16L, T18I, V29H, Y33H, N37L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；31% PEG 4,000 0.1M Tris pH 8.5 200mM MgCl2
Resolution 2.30 Å R-free 0.258
6NLB Crystal structure of de novo designed metal-controlled dimer of mutant B1 immunoglobulin-binding domain of Streptococcal Protein G (L12H, E15V, T16L, T18I, V29H, Y33H, N37L)-apo Deposited 2019-01-08 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 303–357（55 aa）
Mutation：L12H, E15V, T16L, T18I, V29H, Y33H, N37L No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；31% PEG 4,000 0.1M Tris pH 8.5 200mM MgCl2
Resolution 2.30 Å R-free 0.258
6O41 Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ) Deposited 2019-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain M 438–497（60 aa）
Not recorded GOL GLYCEROL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；20% PEG3350, 0.2 M lithium citrate
Resolution 2.46 Å R-free 0.219
6O41 Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ) Deposited 2019-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain O 438–497（60 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；20% PEG3350, 0.2 M lithium citrate
Resolution 2.46 Å R-free 0.219
6O41 Crystal structure of the unbound PGZL1 germline Fab fragment (PGZL1_gVmDmJ) Deposited 2019-02-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain N 438–497（60 aa）
Not recorded GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；20% PEG3350, 0.2 M lithium citrate
Resolution 2.46 Å R-free 0.219
6OC7 HMP42 Fab in complex with Protein G Deposited 2019-03-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 438–497（60 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；293 K；17% PEG 4000, 15% glycerol, 8.5% 2-propanol and 85 mM HEPES pH 7.5
Resolution 1.30 Å R-free 0.184
6UUH Crystal structure of broad and potent HIV-1 neutralizing antibody 438-B11 Deposited 2019-10-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain E 438–497（60 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.085M sodium acetate (pH=4.0), 0.17M ammonium acetate, 5% %(v/v) glycerol, 27.882 %(w/v) PEG4000, 15% glycerol
Resolution 2.70 Å R-free 0.260
6UUH Crystal structure of broad and potent HIV-1 neutralizing antibody 438-B11 Deposited 2019-10-30 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Other combination Heteromer；Protein × 3 PDB declaration: trimeric
Chain F 438–497（60 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.085M sodium acetate (pH=4.0), 0.17M ammonium acetate, 5% %(v/v) glycerol, 27.882 %(w/v) PEG4000, 15% glycerol
Resolution 2.70 Å R-free 0.260
6UYG Structure of Hepatitis C Virus Envelope Glycoprotein E2c3 core from genotype 6a bound to broadly neutralizing antibody AR3A and non neutralizing antibody E1 Deposited 2019-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Other combination Heteromer；Protein × 6 PDB declaration: hexameric
Chain G 438–497（60 aa）
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M magnesium chloride, 10% (w/v) PEG 3000, 15% ethylene glycol, 0.1M Na-cacodylate, pH=6.5
Resolution 3.38 Å R-free 0.305
6W00 Crystal structure of Fab239 in complex with NPNA2 peptide from circumsporozoite protein Deposited 2020-02-28 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 440–497（58 aa） Fragment：domain III (UNP residues 438-497)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；0.2 M sodium chloride, 20% w/v PEG3350
Resolution 1.85 Å R-free 0.206
6WFW Crystal structure of Fab364 in complex with NPNA2 peptide from circumsporozoite protein Deposited 2020-04-04 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 439–497（59 aa） Fragment：domain III (UNP residues 438-497)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；20% PEG8000, 0.05 M potassium phosphate dibasic
Resolution 2.09 Å R-free 0.257
7DA8 X-ray structure of a GB1:T2Q/D46K mutant Deposited 2020-10-15 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Mutation：T303Q, D347K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；MES monohydrate pH 6.5 (buffer system 1), 40% v/v PEG 500* MME, 20 % w/v PEG 20000 (Precipitant mix1) (Morpheus Screen ID 25).
Resolution 2.40 Å R-free 0.305
8DIJ NMR Structure of Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35 Deposited 2022-06-29 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 302–357（56 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 40；Pressure 1
NMR sample composition 0.65 mM Streptococcal Protein GB1 Backbone Modified Variant: beta-ACPC24, beta-3-Lys28, beta-3-Lys31, beta-ACPC35, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
8TFR Apo Fab from C10-S66K antibody Deposited 2023-07-11 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain C 438–497（60 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293.15 K；20% PEG 3350, 0.2 M Na3-citrate, pH 8.2
Resolution 2.99 Å R-free 0.262
8UM7 Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: Wild-type Protein Deposited 2023-10-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 41；Pressure 1
NMR sample composition 0.12 mM B1 Domain of Streptococcal Protein G, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
8UM9 Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: D-Asp40 Variant Deposited 2023-10-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 41；Pressure 1
NMR sample composition 0.12 mM B1 Domain of Streptococcal Protein G, D-Asp40 Variant, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
8UMA Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: D-isoAsp40 Variant Deposited 2023-10-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 41；Pressure 1
NMR sample composition 0.17 mM B1 Domain of Streptococcal Protein G, D-isoAsp40 Variant, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
8UMB Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: L-Aspartyl Succinimide 40-41 Variant Deposited 2023-10-17 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 41；Pressure 1
NMR sample composition 0.07 mM B1 Domain of Streptococcal Protein G, L-Aspartyl Succinimide 40-41 Variant, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
8UMS Site-specific Aspartic Acid Dehydration and Isomerization in Streptococcal Protein GB1: L-isoAsp40 Variant Deposited 2023-10-18 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 304–357（54 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 41；Pressure 1
NMR sample composition 0.18 mM B1 Domain of Streptococcal Protein G, L-isoAsp40 Variant, 20 mM sodium phosphate, 0.1 mM DSS, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
8WCJ Crystal structure of GB3 penta mutation L5V/K10H/T16S/K19E/Y33I Deposited 2023-09-12 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 444–497（54 aa）
Mutation：L446V, K451H, T457S, K460E, Y474I No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；60% v/v Tacsimate pH 7.0
Resolution 1.55 Å R-free 0.233
9AWE The crystal structure of an engineered Protein GF with Human Kappa Fab Deposited 2024-03-05 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 368–430（63 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Sodium Cacodylate pH 6.0, 0.1M Calcium acetate hydrate, 10% PEG 8000
Resolution 2.80 Å R-free 0.293
9BDE Middle Region of Apolipoprotein B 100 bound to Low Density Lipoprotein Receptor Deposited 2024-04-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 6 PDB declaration: hexameric
Chain B 440–497（58 aa） Fragment：;residues 27-384 (Uniprot numbering),residues 278-327 (Uniprot numbering),103-151 (Uniprot numbering),residues 440-497 (Uniprot numbering) ;
Not recorded NAG 2-acetamido-2-deoxy-beta-D-glucopyranose × 5 CA CALCIUM ION × 7 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 4.18 Å
9I2I X-ray structure of the B1 domain of streptococcal protein G triple mutant T2Q, N8D, and N37D (GB1-QDD). Deposited 2025-01-20 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；278 K；50% MPD, 25% isopropyl alcohol,
Resolution 1.08 Å R-free 0.210
9I2I X-ray structure of the B1 domain of streptococcal protein G triple mutant T2Q, N8D, and N37D (GB1-QDD). Deposited 2025-01-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 303–357（55 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；278 K；50% MPD, 25% isopropyl alcohol,
Resolution 1.08 Å R-free 0.210
9QBJ Legobody dimer Deposited 2025-03-03 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Insufficient information Heteromer；Protein × 8 PDB declaration: octameric
Chain I 440–496（57 aa）
Chain J 440–497（58 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.20 Å
9T8Z Room temperature X-ray structure of the B1 domain of streptococcal protein G triple mutant T2Q, N8D, and N37D (GB1-QDD). Deposited 2025-11-13 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 303–357（55 aa）
Not recorded NA SODIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；278 K；50 % 2-methyl-2,4-pentanediol (MPD), 25 % isopropanol
Resolution 1.69 Å R-free 0.197
9T8Z Room temperature X-ray structure of the B1 domain of streptococcal protein G triple mutant T2Q, N8D, and N37D (GB1-QDD). Deposited 2025-11-13 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 303–357（55 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICRODIALYSIS；278 K；50 % 2-methyl-2,4-pentanediol (MPD), 25 % isopropanol
Resolution 1.69 Å R-free 0.197

76 other PDB entries and 116 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name SPG2_STRSG
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–56； UniProt 304–357 Author chain B； PDBConstruct 3–56； UniProt 304–357 Author chain C； PDBConstruct 3–56； UniProt 304–357 Author chain D； PDBConstruct 3–56； UniProt 304–357 Author chain E； PDBConstruct 3–56； UniProt 304–357

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 2kwd

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2kwd
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2kwd
Deposition date deposition_date2010-04-05
Structure title titleSupramolecular Protein Structure Determination by Site-Specific Long-Range Intermolecular Solid State NMR Spectroscopy
Keywords keywordsGB1, Crystal Packing, Solid-State, Quaternary Structure, TEDOR, IMMUNE SYSTEM; IMMUNE SYSTEM
Experimental Method methodSOLID-STATE NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier22.00 Å
Radius of gyration Rg (electron density) rg_electron21.83 Å
Forward intensity I(0) i01382410000.00
Molecular weight molecular_weight310940.0 kDa
Excluded volume excluded_volume386620 ų
Envelope volume envelope_volume52796 ų
Hydration-shell volume shell_volume20535 ų
Envelope diameter envelope_diameter71.4 Å
Shell Rg shell_rg28.10 Å
Envelope Rg envelope_rg22.48 Å
Shape Rg shape_rg21.80 Å
Total Rg total_rg22.05 Å
Total atoms total_atoms42900
Residues n_residues2800
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax64.4 Å
Rg (real space) rg_real21.88 Å
Rg uncertainty (real space) rg_real_error0.33 Å
I(0) (real space) i0_real1.3820e+09
I(0) uncertainty (real space) i0_real_error1.8140e+07
Rg (reciprocal space) rg_reciprocal21.91 Å
I(0) (reciprocal space) i0_reciprocal1382000000.0000
Solution quality estimate total_estimate0.8441
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary63.5 Å
Skewness Skewness skewness0.033
Kurtosis Kurtosis kurtosis-0.729
Angular range angular_range— – 0.3600 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha1366000.0000
Real-space data points n_real_points68
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.991; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 5 domains

CATH v4.4 (5 domains)

Domain ID domain_id2kwdA00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily10 —
Domain ID domain_id2kwdB00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily10 —
Domain ID domain_id2kwdC00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily10 —
Domain ID domain_id2kwdD00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily10 —
Domain ID domain_id2kwdE00
Class class3 — Alpha Beta
Architecture architecture10 — Roll
Topology topology20 — Ubiquitin-like (UB roll)
Homologous superfamily homologous superfamily10 —
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8. Citations (1)

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9. Files and Curves (10)