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1oqa

Solution structure of the BRCT-c domain from human BRCA1

Method: SOLUTION NMR Dmax: 39.5 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Breast cancer type 1 susceptibility protein

Homo sapiens

UniProt P38398

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 1755–1863 Fragment：BRCT-c No other associated polymer SOLUTION NMR NMR measurement conditions：pH 6.8；295.9 K；Pressure 1 NMR sample composition：0.7mM BRCT-c; U-15N,13C, 20mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT, 99.98% D2O | 99.98% D2O NMR sample composition：1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT, 93% H2O, 7% D2O | 93% H2O/7% D2O NMR sample composition：1.3 mM BRCT-c; U-15N, 20 mM Potassium phosphate buffer pH 6.8, 5 mM KCl, 10 mM d10-DTT, 99.98% D2O | 99.98% D2O 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 1OQA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1JM7 Solution structure of the BRCA1/BARD1 RING-domain heterodimer Deposited 2001-07-17 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–110（110 aa） Fragment：RING-Domain
Not recorded ZN ZINC ION × 4 SOLUTION NMR
NMR measurement conditions pH 6.8；315 K；Ionic strength (raw mmCIF value) 0.2M NaCl；Pressure ambient
NMR measurement conditions pH 6.8；315 K；Ionic strength (raw mmCIF value) 0.2M NaCl；Pressure ambient
NMR measurement conditions pH 6.8；315 K；Ionic strength (raw mmCIF value) 0.2M NaCl；Pressure ambient
NMR measurement conditions pH 6.8；315 K；Ionic strength (raw mmCIF value) 0.2M NaCl；Pressure ambient
NMR sample composition sample 1: 0.8-1.1mM U-15N,13C BRCA1; unlabeled BARD1, 25mM sodium phosphate, 0.2M NaCl, 2mM DTT. Sample 2: 0.8-1.1mM U-15N,13C BARD1; unlabeled BRCA1, 25mM sodium phosphate, 0.2M NaCl, 2mM DTT. Sample 3: 0.8-1.1mM U-15N,13C,85%-2H BRCA1; unlabeled BARD1, 25mM sodium phosphate, 0.2M NaCl, 2mM DTT. SAMPLE 4: 0.8-1.1mM U-15N,13C,85%-2H BARD1; unlabeled BRCA,1 25mM sodium phosphate, 0.2M NaCl, 2mM DTT. | 90% H2O/10% D2O
NMR sample composition 0.8-1.1mM U-15N,13C BARD1; unlabeled BRCA1 25mM sodium phosphate 0.2M NaCl 2mM DTT | 90% H2O/10% D2O
NMR sample composition 0.8-1.1mM U-15N,13C,85%-2H BRCA1; unlabeled BARD1 25mM sodium phosphate 0.2M NaCl 2mM DTT | 90% H2O/10% D2O
NMR sample composition 0.8-1.1mM U-15N,13C,85%-2H BARD1; unlabeled BRCA1 25mM sodium phosphate 0.2M NaCl 2mM DTT | 90% H2O/10% D2O
Resolution not provided
1JNX Crystal structure of the BRCT repeat region from the breast cancer associated protein, BRCA1 Deposited 2001-07-26 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1646–1859（214 aa） Fragment：residues 1646-1859
Not recorded NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；298 K；Lithium sulphate, Nickel sulphate, calcium chloride, Tris, pH 8.5,VAPOR DIFFUSION, HANGING DROP at 298K
Resolution 2.50 Å R-free 0.302
1N5O Structural consequences of a cancer-causing BRCA1-BRCT missense mutation Deposited 2002-11-06 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1646–1859（214 aa） Fragment：BRCT (residues 1646-1859)
Mutation：M1775R CO COBALT (II) ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.7；293 K；ammonium sulphate, cobalt chloride, MES, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.298
1T15 Crystal Structure of the Brca1 BRCT Domains in Complex with the Phosphorylated Interacting Region from Bach1 Helicase Deposited 2004-04-15 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1649–1859（211 aa） Fragment：BCRT 1, BCRT 2
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions MICROBATCH；pH 6.5；291 K；PEG 8000, Ammonium Sulphate, MES, pH 6.5, Microbatch, temperature 291K
Resolution 1.85 Å R-free 0.222
1T29 Crystal structure of the BRCA1 BRCT repeats bound to a phosphorylated BACH1 peptide Deposited 2004-04-20 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT repeats of BRCA1 (residues 1646-1859)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；295 K；PEG4000, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K
Resolution 2.30 Å R-free 0.266
1T2U Structural basis of phosphopeptide recognition by the BRCT domain of BRCA1: structure of BRCA1 missense variant V1809F Deposited 2004-04-22 Different construct Different mutation/modification 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 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Mutation：V1809F CO COBALT (II) ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.7；298 K；Ammounium sulphate, cobaltous chloride, MES, pH 6.7, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 6.70
Resolution 2.80 Å R-free 0.294
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Chain D 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1T2V Structural basis of phospho-peptide recognition by the BRCT domain of BRCA1, structure with phosphopeptide Deposited 2004-04-22 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain E 1646–1859（214 aa） Fragment：BRCT DOMAIN 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 5.6；298 K；PEG 4000 ammonium acetate, tri-sodium citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 5.60
Resolution 3.30 Å R-free 0.301
1Y98 Structure of the BRCT repeats of BRCA1 bound to a CtIP phosphopeptide. Deposited 2004-12-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT 1, BRCT 2
Not recorded CO COBALT (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；AMMONIUM SULPHATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.270
1Y98 Structure of the BRCT repeats of BRCA1 bound to a CtIP phosphopeptide. Deposited 2004-12-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1646–1859（214 aa） Fragment：BRCT 1, BRCT 2
Not recorded CO COBALT (II) ION × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；AMMONIUM SULPHATE, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.270
2ING X-ray Structure of the BRCA1 BRCT mutant M1775K Deposited 2006-10-07 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1649–1859（211 aa） Fragment：BRCT1, BRCT2
Mutation：M1775K CO COBALT (II) ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；291 K；1.4M Ammonium sulfate, 20mM Cobalt chloride, 100mM 2-(N-Morpholino) ethanesulfonic acid, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.60 Å R-free 0.302
2ING X-ray Structure of the BRCA1 BRCT mutant M1775K Deposited 2006-10-07 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 X 1649–1859（211 aa） Fragment：BRCT1, BRCT2
Mutation：M1775K CO COBALT (II) ION × 2 SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.7；291 K；1.4M Ammonium sulfate, 20mM Cobalt chloride, 100mM 2-(N-Morpholino) ethanesulfonic acid, pH 6.7, VAPOR DIFFUSION, SITTING DROP, temperature 291K
Resolution 3.60 Å R-free 0.302
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain X 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3COJ Crystal Structure of the BRCT Domains of Human BRCA1 in Complex with a Phosphorylated Peptide from Human Acetyl-CoA Carboxylase 1 Deposited 2008-03-28 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1646–1859（214 aa） Fragment：BRCT1 and BRCT2 domains
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.5；294 K；100 mM sodium acetate (pH 4.5), 25-27% (v/v) PEG400, and 200 mM calcium acetate, VAPOR DIFFUSION, SITTING DROP, temperature 294K
Resolution 3.21 Å R-free 0.307
3K0H The crystal structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with an amidated C-terminus Deposited 2009-09-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT Domain (UNP residues 1646 to 1859)
Not recorded NI NICKEL (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.3；298 K；Tris-HCl, Li2SO4, NiCl2, pH 7.3, VAPOR DIFFUSION, temperature 298K
Resolution 2.70 Å R-free 0.296
3K0K Crystal Structure of BRCA1 BRCT in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus. Deposited 2009-09-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT Domain (UNP residues 1646 to 1859)
Not recorded NI NICKEL (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.3；298 K；Li2SO4, Tris-HCl, NiCl2, pH 7.3, VAPOR DIFFUSION, temperature 298K
Resolution 2.70 Å R-free 0.299
3K15 Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with an amidated C-terminus Deposited 2009-09-25 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 × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT Domain (UNP residues 1646 to 1859)
Mutation：D1840T NI NICKEL (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；298 K；Li2SO4, Tris-HCl, NiCl2, pH 8.5, VAPOR DIFFUSION, temperature 298K
Resolution 2.80 Å R-free 0.280
3K16 Crystal Structure of BRCA1 BRCT D1840T in complex with a minimal recognition tetrapeptide with a free carboxy C-terminus Deposited 2009-09-25 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 × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT Domain
Mutation：D1840T NI NICKEL (II) ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 8.5；298 K；Li2SO4, Tris-HCl, NiCl2, pH 8.5, VAPOR DIFFUSION, temperature 298K
Resolution 3.00 Å R-free 0.288
3PXA Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: G1656D Deposited 2010-12-09 Different construct Different mutation/modification 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 1646–1859（214 aa） Fragment：BRCT Domain, UNP residues 1646-1859
Mutation：G1656D NI NICKEL (II) ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；1.0M Li2SO4 100mM Tris 5mM CaCl2 10mM NiCl2 , pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.55 Å R-free 0.261
3PXB Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: T1700A Deposited 2010-12-09 Different construct Different mutation/modification 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 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Mutation：T1700A SO4 SULFATE ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；0.8 M Li2SO4 100 mM TRIS 5mM CaCl2 10 mM NiCl2, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.50 Å R-free 0.274
3PXC Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: R1699Q Deposited 2010-12-09 Different construct Different mutation/modification Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Mutation：R1699Q SO4 SULFATE ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.8M Li2SO4 100mM Tris 5mM CaCl2 10mM NiCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.270
3PXD Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: R1835P Deposited 2010-12-09 Different construct Different mutation/modification 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 1646–1859（214 aa） Fragment：BRCT Domain, UNP residues 1646-1859
Mutation：R1835P SO4 SULFATE ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；0.8M Li2SO4 100 mM Tris 5mM CaCl2 10mM NiCl2, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.80 Å R-free 0.281
3PXE Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: E1836K Deposited 2010-12-09 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Mutation：E1836K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；50mM MES 0.15M (NH4)2SO4 26% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.266
3PXE Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: E1836K Deposited 2010-12-09 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Mutation：E1836K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；50mM MES 0.15M (NH4)2SO4 26% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.266
3PXE Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: E1836K Deposited 2010-12-09 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Mutation：E1836K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；50mM MES 0.15M (NH4)2SO4 26% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.266
3PXE Impact of BRCA1 BRCT domain missense substitutions on phospho-peptide recognition: E1836K Deposited 2010-12-09 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Mutation：E1836K No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；50mM MES 0.15M (NH4)2SO4 26% PEG 8000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.85 Å R-free 0.266
4IFI Structure of human BRCA1 BRCT in complex with BAAT peptide Deposited 2012-12-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1650-1859
Not recorded ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；30% PEG 6000, 1M LiCl. 0.1M Sodium Acetate , pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.261
4IFI Structure of human BRCA1 BRCT in complex with BAAT peptide Deposited 2012-12-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1650-1859
Not recorded ACT ACETATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.8；293 K；30% PEG 6000, 1M LiCl. 0.1M Sodium Acetate , pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.20 Å R-free 0.261
4IGK Structure of human BRCA1 BRCT in complex with ATRIP peptide Deposited 2012-12-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.2 M ammonium acetate, 8% glycerol, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.75 Å R-free 0.204
4IGK Structure of human BRCA1 BRCT in complex with ATRIP peptide Deposited 2012-12-17 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa） Fragment：BRCT domain, UNP residues 1646-1859
Not recorded GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；20% PEG3350, 0.2 M ammonium acetate, 8% glycerol, 0.1 M HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.75 Å R-free 0.204
4JLU Crystal structure of BRCA1 BRCT with doubly phosphorylated Abraxas Deposited 2013-03-13 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1649–1859（211 aa） Fragment：UNP RESIDUES 1649-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；pH 6.5, VAPOR DIFFUSION, HANGING DROP
Resolution 3.50 Å R-free 0.327
4OFB Crystal structure of human BRCA1 BRCT in complex with nonphosphopeptide inhibitor Deposited 2014-01-14 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT 1 domain (UNP residues 1646-1859)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；0.1M Sodium Cacodylate, 0.1M Magnesium Acetate,24% PEG6000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
Resolution 3.05 Å R-free 0.237
4U4A Complex Structure of BRCA1 BRCT with singly phospho Abraxas Deposited 2014-07-23 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT (UNP RESIDUES 1646-1859)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.01M Cobalt Chloride, 0.1 M(MES), pH 6.5, 30% PEG Mono Methyl Ether (MME) 5000
Resolution 3.51 Å R-free 0.362
4U4A Complex Structure of BRCA1 BRCT with singly phospho Abraxas Deposited 2014-07-23 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa） Fragment：BRCT (UNP RESIDUES 1646-1859)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.01M Cobalt Chloride, 0.1 M(MES), pH 6.5, 30% PEG Mono Methyl Ether (MME) 5000
Resolution 3.51 Å R-free 0.362
4U4A Complex Structure of BRCA1 BRCT with singly phospho Abraxas Deposited 2014-07-23 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa） Fragment：BRCT (UNP RESIDUES 1646-1859)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；295 K；0.01M Cobalt Chloride, 0.1 M(MES), pH 6.5, 30% PEG Mono Methyl Ether (MME) 5000
Resolution 3.51 Å R-free 0.362
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 10 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 11 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain G 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Chain H 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 12 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Chain B 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain C 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Chain E 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 6 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 7 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain D 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Chain F 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 8 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y18 Structure of BRCA1 BRCT domains in complex with Abraxas double phosphorylated peptide Deposited 2015-02-06 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 9 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1646–1859（214 aa） Fragment：BRCT domains, UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；HEPES, Ammonium Sulphate, PEG 4000.
Resolution 3.50 Å R-free 0.297
4Y2G Structure of BRCA1 BRCT domains in complex with Abraxas single phosphorylated peptide Deposited 2015-02-09 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa） Fragment：UNP residues 1646-1859
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；Lithium chloride, Tris, PEG 6000
Resolution 2.50 Å R-free 0.252
6G2I Filament of acetyl-CoA carboxylase and BRCT domains of BRCA1 (ACC-BRCT) at 5.9 A resolution Deposited 2018-03-23 Different construct Different mutation/modification Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 18 PDB declaration: octadecameric
Chain H 1667–1880（214 aa）
Chain K 1667–1880（214 aa）
Chain M 1667–1880（214 aa）
Chain O 1667–1880（214 aa）
Chain S 1667–1880（214 aa）
Chain U 1667–1880（214 aa）
Chain W 1667–1880（214 aa）
Chain Y 1667–1880（214 aa）
Not recorded No recorded non-water small molecule ELECTRON MICROSCOPY
cryo-EM buffer pH 8
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 5.90 Å
7LYB Cryo-EM structure of the human nucleosome core particle in complex with BRCA1-BARD1-UbcH5c Deposited 2021-03-06 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 11 PDB declaration: tridecameric
Chain M 1–100（100 aa） Fragment：RING domain (UNP residues 1-100)
Not recorded ZN ZINC ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.28 Å
8GRQ Cryo-EM structure of BRCA1/BARD1 bound to H2AK127-UbcH5c-Ub nucleosome Deposited 2022-09-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein–DNA Heteromer；Protein × 11 PDB declaration: tridecameric
Chain K 6–97（92 aa）
Not recorded ZN ZINC ION × 4 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.5
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.87 Å
8RS8 Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide Deposited 2024-01-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa）
Not recorded EDO 1,2-ETHANEDIOL × 9 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；287 K；55.5 mM MES, 44.5 mM Imidazole, 120 mM Diethylene glycol, 120 mM Triethylene-glycol, 120 mM Tetraethylene glycol, 120 mM Pentaethylene glycol, 20% (v/v) Ethylene glycol, 10% (w/v) PEG 8000
Resolution 1.31 Å R-free 0.179
8RS8 Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide Deposited 2024-01-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 IMD IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；287 K；55.5 mM MES, 44.5 mM Imidazole, 120 mM Diethylene glycol, 120 mM Triethylene-glycol, 120 mM Tetraethylene glycol, 120 mM Pentaethylene glycol, 20% (v/v) Ethylene glycol, 10% (w/v) PEG 8000
Resolution 1.31 Å R-free 0.179
8RS8 Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide Deposited 2024-01-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa）
Not recorded EDO 1,2-ETHANEDIOL × 13 IMD IMIDAZOLE × 1 PEG DI(HYDROXYETHYL)ETHER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；287 K；55.5 mM MES, 44.5 mM Imidazole, 120 mM Diethylene glycol, 120 mM Triethylene-glycol, 120 mM Tetraethylene glycol, 120 mM Pentaethylene glycol, 20% (v/v) Ethylene glycol, 10% (w/v) PEG 8000
Resolution 1.31 Å R-free 0.179
8RS8 Crystal structure of BRCA1 BRCTs in complex with a RIF1 phosphopeptide Deposited 2024-01-24 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1646–1859（214 aa）
Not recorded EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；287 K；55.5 mM MES, 44.5 mM Imidazole, 120 mM Diethylene glycol, 120 mM Triethylene-glycol, 120 mM Tetraethylene glycol, 120 mM Pentaethylene glycol, 20% (v/v) Ethylene glycol, 10% (w/v) PEG 8000
Resolution 1.31 Å R-free 0.179
9QPX BRCA1 BRCT tandem repeat with RNA polymerase II pSer5-CTD peptide Deposited 2025-03-30 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1646–1859（214 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M PCB buffer (sodium propionate, sodium cacodylate, BIS-TRIS propane in the molar ratios 2:1:2) pH 6, 25%PEG 1500
Resolution 3.00 Å R-free 0.312
9QPX BRCA1 BRCT tandem repeat with RNA polymerase II pSer5-CTD peptide Deposited 2025-03-30 Different construct Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1646–1859（214 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M PCB buffer (sodium propionate, sodium cacodylate, BIS-TRIS propane in the molar ratios 2:1:2) pH 6, 25%PEG 1500
Resolution 3.00 Å R-free 0.312
9QPX BRCA1 BRCT tandem repeat with RNA polymerase II pSer5-CTD peptide Deposited 2025-03-30 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1646–1859（214 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M PCB buffer (sodium propionate, sodium cacodylate, BIS-TRIS propane in the molar ratios 2:1:2) pH 6, 25%PEG 1500
Resolution 3.00 Å R-free 0.312
9QPX BRCA1 BRCT tandem repeat with RNA polymerase II pSer5-CTD peptide Deposited 2025-03-30 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1646–1859（214 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1M PCB buffer (sodium propionate, sodium cacodylate, BIS-TRIS propane in the molar ratios 2:1:2) pH 6, 25%PEG 1500
Resolution 3.00 Å R-free 0.312

31 other PDB entries and 70 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BRCA1_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 2–110； UniProt 1755–1863

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 1oqa

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1oqa
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1oqa
Deposition date deposition_date2003-03-07
Structure title titleSolution structure of the BRCT-c domain from human BRCA1
Keywords keywordsBRCT, breast cancer, GENE REGULATION; GENE REGULATION
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier15.17 Å
Radius of gyration Rg (electron density) rg_electron14.45 Å
Forward intensity I(0) i0486382000.00
Molecular weight molecular_weight185250.0 kDa
Excluded volume excluded_volume231020 ų
Envelope volume envelope_volume39937 ų
Hydration-shell volume shell_volume18129 ų
Envelope diameter envelope_diameter68.8 Å
Shell Rg shell_rg24.88 Å
Envelope Rg envelope_rg19.37 Å
Shape Rg shape_rg14.48 Å
Total Rg total_rg14.66 Å
Total atoms total_atoms25545
Residues n_residues1650
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 dmax39.5 Å
Rg (real space) rg_real14.38 Å
Rg uncertainty (real space) rg_real_error0.05 Å
I(0) (real space) i0_real4.6380e+08
I(0) uncertainty (real space) i0_real_error3.7420e+06
Rg (reciprocal space) rg_reciprocal15.20 Å
I(0) (reciprocal space) i0_reciprocal486400000.0000
Solution quality estimate total_estimate0.6850
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary18.0 Å
Skewness Skewness skewness0.192
Kurtosis Kurtosis kurtosis-0.365
Angular range angular_range— – 0.5000 Å−1
Current regularization parameter α current_alpha3.5000
Highest regularization parameter α highest_alpha295500.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.003; Oscil: 0.988; Stabil: 0.983; Sysdev: 0.000; Positv: 1.000; Valcen: 0.992; 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) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1oqaa1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.15 — BRCT domain
Superfamily Superfamily superfamilyc.15.1 — BRCT domain
Family Family familyc.15.1.3 — BRCT domain
Domain ID domain_idd1oqaa2
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (1 domains)

Domain ID domain_id1oqaA00
Class class3 — Alpha Beta
Architecture architecture40 — 3-Layer(aba) Sandwich
Topology topology50 — Rossmann fold
Homologous superfamily homologous superfamily10190 — BRCT domain
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8. Citations (1)

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9. Files and Curves (10)