3mb4

Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP

Method: X-RAY DIFFRACTION D_max: 68.3 Å Quality: GOOD

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1. Protein Identity and Related Structures Protein Identity & Related Structures

Protein polybromo-1

Homo sapiens

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 645–766	Fragment：UNP residues 645-766	EDO 1,2-ETHANEDIOL × 2 MB3 1-methylpyrrolidin-2-one × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M NaNO3 25% PEG 3350 10% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.66 Å R-free 0.219
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 645–766	Fragment：UNP residues 645-766	EDO 1,2-ETHANEDIOL × 3 MB3 1-methylpyrrolidin-2-one × 1 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M NaNO3 25% PEG 3350 10% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.66 Å R-free 0.219

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 3MB4	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2KTB Solution Structure of the Second Bromodomain of Human Polybromo in complex with an acetylated peptide from Histone 3 Deposited 2010-01-26	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 B 174–293（120 aa） Fragment：Polybromo Bromdomain 2	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Ionic strength (raw mmCIF value) 0.1；Pressure ambient NMR sample composition 0.5 mM [U-100% 15N] Polybromo Bromdomain2, 2.5 mM H3 Peptide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] Polybromo Bromdomain2, 2.5 mM H3 Peptide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 0.8 mM [U-100% 13C; U-100% 15N] Polybromo Bromdomain2, 8 mM H3 Peptide, 100% D2O \| 100% D2O	Resolution not provided
3G0J Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-01-28	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Na_nitrate, 25% w/v PEG 3350, 5% v/v ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.237
3G0J Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-01-28	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 3 NO3 NITRATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Na_nitrate, 25% w/v PEG 3350, 5% v/v ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.237
3HMF Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-05-29	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 178–291（114 aa） Fragment：bromodomain, UNP residues 178-291	Not recorded	ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.01M Zn_Cl, 15w/v PEG_6000, 10v/v ethylene_glycol, 5.5pH MES, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.63 Å R-free 0.199
3HMF Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-05-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 178–291（114 aa） Fragment：bromodomain, UNP residues 178-291	Not recorded	ZN ZINC ION × 4 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.01M Zn_Cl, 15w/v PEG_6000, 10v/v ethylene_glycol, 5.5pH MES, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.63 Å R-free 0.199
3IU5 Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1) Deposited 2009-08-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 43–154（112 aa） Fragment：Bromo 1 domain: UNP residues 43-154	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2.1M Na malate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.63 Å R-free 0.204
3IU6 Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1) Deposited 2009-08-30	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 773–914（142 aa） Fragment：Bromo 6 domain: UNP residues 773-914	Non-standard monomer：Yes (specific site not provided by mmCIF)	EDO 1,2-ETHANEDIOL × 3 ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.01M ZnCl2, 0.1M Tris-HCl pH 8.0, 20% PEG 6000, 10% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.79 Å R-free 0.202
3K2J Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-09-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 388–494（107 aa） Fragment：Bromo 3 domain, UNP residues 388-494	Not recorded	CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.270
3K2J Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-09-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 388–494（107 aa） Fragment：Bromo 3 domain, UNP residues 388-494	Not recorded	SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.270
3K2J Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) Deposited 2009-09-30	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 388–494（107 aa） Fragment：Bromo 3 domain, UNP residues 388-494 Chain B 388–494（107 aa） Fragment：Bromo 3 domain, UNP residues 388-494	Not recorded	CL CHLORIDE ION × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.270
3LJW Crystal Structure of the Second Bromodomain of Human Polybromo Deposited 2010-01-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 174–293（120 aa） Fragment：Bromodomain 2 (UNP residues 174-293)	Not recorded	ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；35% PEG 4000, 10 mM Sodium Acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.50 Å R-free 0.197
3LJW Crystal Structure of the Second Bromodomain of Human Polybromo Deposited 2010-01-26	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 174–293（120 aa） Fragment：Bromodomain 2 (UNP residues 174-293)	Not recorded	ACT ACETATE ION × 1 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；298 K；35% PEG 4000, 10 mM Sodium Acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	Resolution 1.50 Å R-free 0.197
3TLP Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1) Deposited 2011-08-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 496–637（142 aa） Fragment：UNP residues 496-637	Not recorded	NI NICKEL (II) ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；25% PEG_MME_2000, 0.015M NiCl, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.13 Å R-free 0.249
3TLP Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1) Deposited 2011-08-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 496–637（142 aa） Fragment：UNP residues 496-637	Not recorded	NI NICKEL (II) ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；25% PEG_MME_2000, 0.015M NiCl, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.13 Å R-free 0.249
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 1 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 1 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 1 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 2 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 1 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain G 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 2 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0N Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain H 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	EDO 1,2-ETHANEDIOL × 1 2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.78 Å R-free 0.214
4Q0O Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand Deposited 2014-04-02	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	K POTASSIUM ION × 1 2XC (2E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.20M K3(cit), 0.1M BTProp pH 6.5, 20.0% PEG 3350, 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 1.83 Å R-free 0.224
4Y03 Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid Deposited 2015-02-05	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	SAL 2-HYDROXYBENZOIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；K3(citrate), 20% PEG3350, 10% EtGly	Resolution 1.94 Å R-free 0.281
4Y03 Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid Deposited 2015-02-05	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	SAL 2-HYDROXYBENZOIC ACID × 1 CIT CITRIC ACID × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；K3(citrate), 20% PEG3350, 10% EtGly	Resolution 1.94 Å R-free 0.281
5E7D Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand Deposited 2015-10-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Na2SO4 20w/v PEG_3350 10v/v ethylene_glycol	Resolution 1.87 Å R-free 0.248
5E7D Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand Deposited 2015-10-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Na2SO4 20w/v PEG_3350 10v/v ethylene_glycol	Resolution 1.87 Å R-free 0.248
5E7D Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand Deposited 2015-10-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Na2SO4 20w/v PEG_3350 10v/v ethylene_glycol	Resolution 1.87 Å R-free 0.248
5E7D Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand Deposited 2015-10-12	Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 645–766（122 aa） Fragment：UNP residues 645-766	Not recorded	5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M Na2SO4 20w/v PEG_3350 10v/v ethylene_glycol	Resolution 1.87 Å R-free 0.248
5FH6 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350	Resolution 2.30 Å R-free 0.310
5FH6 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350	Resolution 2.30 Å R-free 0.310
5FH6 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 645–766（122 aa）	Not recorded	5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350	Resolution 2.30 Å R-free 0.310
5FH6 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 645–766（122 aa）	Not recorded	5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350	Resolution 2.30 Å R-free 0.310
5FH7 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	EDO 1,2-ETHANEDIOL × 2 5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.1 M magnesium formate, 15% PEG 3350	Resolution 1.47 Å R-free 0.208
5FH7 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；0.1 M magnesium formate, 15% PEG 3350	Resolution 1.47 Å R-free 0.208
5FH8 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；10% MPD, 0.1 M bicine pH 9	Resolution 1.55 Å R-free 0.224
5FH8 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；10% MPD, 0.1 M bicine pH 9	Resolution 1.55 Å R-free 0.224
5FH8 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 645–766（122 aa）	Not recorded	5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；10% MPD, 0.1 M bicine pH 9	Resolution 1.55 Å R-free 0.224
5FH8 Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28 Deposited 2015-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 645–766（122 aa）	Not recorded	5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；10% MPD, 0.1 M bicine pH 9	Resolution 1.55 Å R-free 0.224
5HRV Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound Deposited 2016-01-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 613–734（122 aa） Fragment：UNP Residues 613-734	Not recorded	64C 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1 M tris-sodium citrate dihydrate pH 5.6, 20% isopropanol, 20% PEG4K	Resolution 1.70 Å R-free 0.208
5HRW Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound Deposited 2016-01-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 613–734（122 aa） Fragment：UNP Residues 613-734	Not recorded	64E 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one × 1 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% PEGMME5k	Resolution 1.80 Å R-free 0.236
5HRW Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound Deposited 2016-01-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 613–734（122 aa） Fragment：UNP Residues 613-734	Not recorded	64E 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% PEGMME5k	Resolution 1.80 Å R-free 0.236
5HRX Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound Deposited 2016-01-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 613–734（122 aa） Fragment：UNP Residues 613-734	Not recorded	EDO 1,2-ETHANEDIOL × 2 64F 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1M lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 30% PEG4K	Resolution 1.73 Å R-free 0.254
5HRX Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound Deposited 2016-01-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 613–734（122 aa） Fragment：UNP Residues 613-734	Not recorded	64F 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.1M lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 30% PEG4K	Resolution 1.73 Å R-free 0.254
5II1 Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one Deposited 2016-03-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.1；277 K；18% PEG_3350 0.15M Na_malonate_pH7.0 10v/v ethylene_glycol 0.1M bis_tris_propane pH 8.1	Resolution 2.02 Å R-free 0.255
5II1 Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one Deposited 2016-03-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.1；277 K；18% PEG_3350 0.15M Na_malonate_pH7.0 10v/v ethylene_glycol 0.1M bis_tris_propane pH 8.1	Resolution 2.02 Å R-free 0.255
5II2 Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one Deposited 2016-03-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	K POTASSIUM ION × 1 CIT CITRIC ACID × 1 LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.20M K3(cit) 0.1M BTProp pH 7.5 20.0% PEG 3350 10.0% EtGly	Resolution 2.10 Å R-free 0.227
5II2 Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one Deposited 2016-03-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	K POTASSIUM ION × 1 LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.20M K3(cit) 0.1M BTProp pH 7.5 20.0% PEG 3350 10.0% EtGly	Resolution 2.10 Å R-free 0.227
5IID Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one Deposited 2016-03-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.20M Na2SO4 0.1M BTProp pH 8.5 20.0% PEG 3350 10.0% EtGly	Resolution 2.40 Å R-free 0.282
5IID Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one Deposited 2016-03-01	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.20M Na2SO4 0.1M BTProp pH 8.5 20.0% PEG 3350 10.0% EtGly	Resolution 2.40 Å R-free 0.282
6OXB First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1) Deposited 2019-05-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 934–1105（172 aa）	Not recorded	SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；292 K；0.1 M Tris HCl pH 8.0 18% sucrose 1.9 M Ammonium sulfate	Resolution 1.86 Å R-free 0.217
6OXB First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1) Deposited 2019-05-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 934–1105（172 aa）	Not recorded	SO4 SULFATE ION × 6 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；292 K；0.1 M Tris HCl pH 8.0 18% sucrose 1.9 M Ammonium sulfate	Resolution 1.86 Å R-free 0.217
6OXB First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1) Deposited 2019-05-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 934–1105（172 aa）	Not recorded	SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；292 K；0.1 M Tris HCl pH 8.0 18% sucrose 1.9 M Ammonium sulfate	Resolution 1.86 Å R-free 0.217
6OXB First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1) Deposited 2019-05-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 934–1105（172 aa）	Not recorded	SO4 SULFATE ION × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；292 K；0.1 M Tris HCl pH 8.0 18% sucrose 1.9 M Ammonium sulfate	Resolution 1.86 Å R-free 0.217
6OXB First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1) Deposited 2019-05-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain E 934–1105（172 aa）	Not recorded	SO4 SULFATE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；292 K；0.1 M Tris HCl pH 8.0 18% sucrose 1.9 M Ammonium sulfate	Resolution 1.86 Å R-free 0.217
6OXB First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1) Deposited 2019-05-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain F 934–1105（172 aa）	Not recorded	SO4 SULFATE ION × 5 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；292 K；0.1 M Tris HCl pH 8.0 18% sucrose 1.9 M Ammonium sulfate	Resolution 1.86 Å R-free 0.217
6ZN6 Protein polybromo-1 (PB1 BD2) Bound To MW278 Deposited 2020-07-06	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 178–291（114 aa）	Not recorded	QMT 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.2 M NaCl 25% (w/v) PEG3350 0.1 M bis-tris pH 5.5	Resolution 2.02 Å R-free 0.278
6ZN6 Protein polybromo-1 (PB1 BD2) Bound To MW278 Deposited 2020-07-06	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 178–291（114 aa）	Not recorded	QMT 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.2 M NaCl 25% (w/v) PEG3350 0.1 M bis-tris pH 5.5	Resolution 2.02 Å R-free 0.278
6ZNV Protein polybromo-1 (PB1 BD2) Bound To DP28 Deposited 2020-07-06	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 178–291（114 aa）	Not recorded	QMW 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol × 1 ZN ZINC ION × 2 EDO 1,2-ETHANEDIOL × 1 CL CHLORIDE ION × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；277 K；0.005 M zinc acetate 20% (w/v) PEG 3350	Resolution 1.14 Å R-free 0.205
6ZS3 Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol Deposited 2020-07-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol × 1 EDO 1,2-ETHANEDIOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；22% (w/v) PEG 3350, 0.2 M sodium malonate, 10% (v/v) ethylene glycol, 0.1 M bis-tris propane pH 7.1	Resolution 1.67 Å R-free 0.243
6ZS3 Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol Deposited 2020-07-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 645–766（122 aa）	Not recorded	FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；22% (w/v) PEG 3350, 0.2 M sodium malonate, 10% (v/v) ethylene glycol, 0.1 M bis-tris propane pH 7.1	Resolution 1.67 Å R-free 0.243
6ZS4 Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate Deposited 2020-07-15	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 645–766（122 aa）	Not recorded	QP8 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate × 1 EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；30% PEG 5000 MME, 0.2 M (NH4)2SO4, 0.1 M MES pH 5.8	Resolution 2.00 Å R-free 0.230
7VDV The overall structure of human chromatin remodeling PBAF-nucleosome complex Deposited 2021-09-07	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 22 PDB declaration: 24-meric	Chain a 631–1689（1059 aa）	Not recorded	BEF BERYLLIUM TRIFLUORIDE ION × 1 MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
7Y8R The nucleosome-bound human PBAF complex Deposited 2022-06-24	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–DNA Heteromer；Protein × 25 PDB declaration: 27-meric	Chain U 1–1597（1597 aa）	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 BEF BERYLLIUM TRIFLUORIDE ION × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.40 Å
8FTA Crystal Structure of the second bromodomain of human Polybromo-1 (PB1) in complex with compound 16 Deposited 2023-01-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 178–291（114 aa）	Not recorded	Y8X (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.1 M MES pH 5.5, 14.4% PEG 8000, 10% Ethylene Glycol, 0.01M ZnCl2	Resolution 1.78 Å R-free 0.207

29 other PDB entries and 65 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	PB1_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–124； UniProt 645–766 Author chain B； PDBConstruct 3–124； UniProt 645–766

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

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	3mb4
Deposition date deposition_date	2010-03-25
Structure title title	Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
Keywords keywords	;PB1, polybromo 1 isoform 1, BAF180, Polybromo-1D, PBRM1, BRG1-associated factor 180, Structural Genomics Consortium, SGC, Bromodomain, Chromatin regulator, DNA-binding, Nucleus, Phosphoprotein, Transcription, Transcription regulation ;; TRANSCRIPTION
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	20.62 Å
Radius of gyration Rg (electron density) rg_electron	19.56 Å
Forward intensity I(0) i0	14074300.00
Molecular weight molecular_weight	27802.0 kDa
Excluded volume excluded_volume	34734 Å³
Envelope volume envelope_volume	42976 Å³
Hydration-shell volume shell_volume	18609 Å³
Envelope diameter envelope_diameter	65.0 Å
Shell Rg shell_rg	25.72 Å
Envelope Rg envelope_rg	20.07 Å
Shape Rg shape_rg	19.56 Å
Total Rg total_rg	20.52 Å
Total atoms total_atoms	1934
Residues n_residues	231
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	68.3 Å
Rg (real space) rg_real	20.58 Å
Rg uncertainty (real space) rg_real_error	0.38 Å
I(0) (real space) i0_real	1.4070e+07
I(0) uncertainty (real space) i0_real_error	1.7140e+05
Rg (reciprocal space) rg_reciprocal	20.58 Å
I(0) (reciprocal space) i0_reciprocal	14070000.0000
Solution quality estimate total_estimate	0.8138
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	22.8 Å
Skewness Skewness skewness	0.256
Kurtosis Kurtosis kurtosis	-0.531
Angular range angular_range	— – 0.3850 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	3436000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.863; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Protein polybromo-1
Molecular weight formula_weight	14648.0 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	2173

SMSGISPKKSKYMTPMQQKLNEVYEAVKNYTDKRGRRLSAIFLRLPSRSELPDYYLTIKKPMDMEKIRSHMMANKYQDIDSMVEDFVMMFNNACTYNEPESLIYKDALVLHKVLLETRRDLEGD

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	5

Entity 3 Entity 3 non-polymer

Description description	1-methylpyrrolidin-2-one
Molecular weight formula_weight	99.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	CHLORIDE ION
Molecular weight formula_weight	35.5 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	208

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7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d3mb4a_
Class class	a — All alpha proteins
Fold Fold fold	a.29 — Bromodomain-like
Superfamily Superfamily superfamily	a.29.2 — Bromodomain
Family Family family	a.29.2.0 — automated matches

Domain ID domain_id	d3mb4b_
Class class	a — All alpha proteins
Fold Fold fold	a.29 — Bromodomain-like
Superfamily Superfamily superfamily	a.29.2 — Bromodomain
Family Family family	a.29.2.0 — automated matches

CATH v4.4 (2 domains)

Domain ID domain_id	3mb4A00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily	10 — Bromodomain-like

Domain ID domain_id	3mb4B00
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily	10 — Bromodomain-like

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8. Citations (1)

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Unit-cell length a length_a	41.957 Å
Unit-cell length b length_b	52.221 Å
Unit-cell length c length_c	134.964 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 21 21 21
Space-group number int_tables_number	19
Crystal system crystal_system	—

Resolution resolution	1.660 Å
Low-resolution limit resolution_low	19.010 Å
R factor r_factor	0.1980
R_work r_work	0.1970
R_free r_free	0.2190

fit	/app/data/saxs_computation/mb/3mb4/3mb4.fit
pddf	/app/data/pr_computation/mb/3mb4/3mb4.pr.out
profile	/app/data/saxs_computation/mb/3mb4/3mb4.dat