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1jm4

NMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide

Method: SOLUTION NMR Dmax: 62.7 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

P300/CBP-associated Factor

Homo sapiens

UniProt Q92831

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 448–561 Fragment：Bromodomain HIV-1 Tat Peptide × 1 SOLUTION NMR NMR measurement conditions：pH 6.5；303 K；Ionic strength (raw mmCIF value) 100 mM；Pressure Ambient NMR sample composition：0.5 mM Bromodomain (U-15N)/Tat Peptide; 100 mM Phosphate Buffer of pH 6.5, 5 mM Perdeuterated DTT and 0.5 mM EDTA | 90% H2O/10% D2O NMR sample composition：0.5 mM Bromodomain (U-13C,15N)/Tat Peptide; 100 mM Phosphate Buffer of pH 6.5, 5 mM Perdeuterated DTT and 0.5 mM EDTA | 99.5% D2O NMR sample composition：0.5 mM Bromodomain (U-13C,15N, 75%-2H)/Tat Peptide; 100 mM Phosphate Buffer of pH 6.5, 5 mM Perdeuterated DTT and 0.5 mM EDTA | 90% H2O/10% 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 1JM4 Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1CM0 CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX Deposited 1999-05-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 491–658（168 aa） Fragment：HISTONE ACETYLTRANSFERASE DOMAIN
Not recorded COA COENZYME A × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；5MG/ML OF P/CAF WITH 2 M EXCESS COFACTOR, 100MM TRIS, 1.5 M LITHIUM SULFATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.268
1CM0 CRYSTAL STRUCTURE OF THE PCAF/COENZYME-A COMPLEX Deposited 1999-05-12 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 491–658（168 aa） Fragment：HISTONE ACETYLTRANSFERASE DOMAIN
Not recorded COA COENZYME A × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；5MG/ML OF P/CAF WITH 2 M EXCESS COFACTOR, 100MM TRIS, 1.5 M LITHIUM SULFATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.30 Å R-free 0.268
1N72 Structure and Ligand of a Histone Acetyltransferase Bromodomain Deposited 2002-11-12 Different construct Different oligomeric state Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 719–832（114 aa） Fragment：Bromodomain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；303 K；Ionic strength (raw mmCIF value) 200；Pressure 1
NMR sample composition 1mM Bromodomain, 100mM Sodium phosphate, 5mM DTT-d10, 0.5mM EDTA, pH 6.5 | 90% H2O/10% D2O
Resolution not provided
1WUG complex structure of PCAF bromodomain with small chemical ligand NP1 Deposited 2004-12-07 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 719–832（114 aa） Fragment：BROMODOMAIN
Not recorded NP1 N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；303 K
NMR sample composition 0.5mM sample in 100mM phosphate buffer containing 5mM perdeuterated DTT | 10% D2O
Resolution not provided
1WUM Complex structure of PCAF bromodomain with small chemical ligand NP2 Deposited 2004-12-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 719–832（114 aa） Fragment：BROMODOMAIN
Not recorded NP2 N-(3-AMINOPROPYL)-2-NITROBENZENAMINE × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；303 K
NMR sample composition 0.5mM sample in 100mM phosphate buffer containing 5mM perdeuterated DTT | 10% D2O
Resolution not provided
1ZS5 Structure-based evaluation of selective and non-selective small molecules that block HIV-1 TAT and PCAF association Deposited 2005-05-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 719–832（114 aa） Fragment：BROMODOMAIN
Not recorded MIB (3E)-4-(1-METHYL-1H-INDOL-3-YL)BUT-3-EN-2-ONE × 1 SOLUTION NMR
NMR measurement conditions pH 6.5；303 K
NMR sample composition 0.5mM sample in 100mM phosphate buffer containing 5mM perdeuterated DTT, 10% D2O | 10% D2O
NMR sample composition 0.5mM sample in 100mM phosphate buffer containing 5mM perdeuterated DTT, 100% D2O | 100% D2O
Resolution not provided
2RNW The Structural Basis for Site-Specific Lysine-Acetylated Histone Recognition by the Bromodomains of the Human Transcriptional Co-Activators PCAf and CBP Deposited 2008-02-03 Different construct Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 719–832（114 aa） Fragment：UNP residues 719-832
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.5；298 K；Pressure ambient
NMR sample composition 0.5 mM [U-100% 13C; U-100% 15N] potassium phosphate, 90% H2O/10% D2O | 90% H2O/10% D2O
Resolution not provided
2RNX The Structural Basis for Site-Specific Lysine-Acetylated Histone Recognition by the Bromodomains of the HUman Transcriptional Co-Activators PCAF and CBP Deposited 2008-02-03 Different construct Different experimental conditions Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 719–832（114 aa） Fragment：UNP residues 719-832
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% 13C; U-100% 15N] potassium phosphate, 100% D2O | 100% D2O
Resolution not provided
3GG3 Crystal Structure of the Bromodomain of Human PCAF Deposited 2009-02-27 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：UNP residues 715-831
Not recorded CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；277 K；20% PEG10K, 4% Ethylene Glycol, 0.1M HEPES pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.25 Å R-free 0.245
3GG3 Crystal Structure of the Bromodomain of Human PCAF Deposited 2009-02-27 Different construct Different oligomeric state Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：UNP residues 715-831
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.2；277 K；20% PEG10K, 4% Ethylene Glycol, 0.1M HEPES pH 8.2, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.25 Å R-free 0.245
4NSQ Crystal structure of PCAF Deposited 2013-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 493–658（166 aa） Fragment：UNP Residues 493-658
Chain D 493–658（166 aa） Fragment：UNP Residues 493-658
Not recorded COA COENZYME A × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.4；298 K；0.2M Lithium Sulfate, 0.1M HEPES pH7.4, 1.2M Ammonium Sulfate and 10mM Trimethylamine HCl, VAPOR DIFFUSION, temperature 298K
Resolution 2.31 Å R-free 0.275
4NSQ Crystal structure of PCAF Deposited 2013-11-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain B 493–658（166 aa） Fragment：UNP Residues 493-658
Chain C 493–658（166 aa） Fragment：UNP Residues 493-658
Not recorded COA COENZYME A × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.4；298 K；0.2M Lithium Sulfate, 0.1M HEPES pH7.4, 1.2M Ammonium Sulfate and 10mM Trimethylamine HCl, VAPOR DIFFUSION, temperature 298K
Resolution 2.31 Å R-free 0.275
5FDZ Crystal structure of human PCAF bromodomain in complex with compound BDOMB00091a (compound 14) Deposited 2015-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded 5X0 ~{N}-methyl-2-(oxan-4-yloxy)-5-(2-oxidanylidene-2-phenylazanyl-ethoxy)benzamide × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.40 Å R-free 0.244
5FE0 Crystal structure of human PCAF bromodomain in complex with acetyllysine Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded ALY N(6)-ACETYLLYSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.30 Å R-free 0.246
5FE0 Crystal structure of human PCAF bromodomain in complex with acetyllysine Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded ALY N(6)-ACETYLLYSINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.30 Å R-free 0.246
5FE1 Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded 12Q 1-METHYLQUINOLIN-2(1H)-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.22 Å R-free 0.241
5FE1 Crystal structure of human PCAF bromodomain in complex with fragment BR004 (fragment 1) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded 12Q 1-METHYLQUINOLIN-2(1H)-ONE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.22 Å R-free 0.241
5FE2 Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded 5WV 2-methyl-3~{H}-isoindol-1-one × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.25 Å R-free 0.237
5FE2 Crystal structure of human PCAF bromodomain in complex with fragment BR013 (fragment 3) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded 5WV 2-methyl-3~{H}-isoindol-1-one × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.25 Å R-free 0.237
5FE3 Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 3 5WX 4-methoxy-1,2-benzoxazol-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.12 Å R-free 0.237
5FE3 Crystal structure of human PCAF bromodomain in complex with fragment MB360 (fragment 4) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 3 5WX 4-methoxy-1,2-benzoxazol-3-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.12 Å R-free 0.237
5FE4 Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 2 5WY 2,3-dihydro-1,4-benzodioxine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.15 Å R-free 0.232
5FE4 Crystal structure of human PCAF bromodomain in complex with fragment MB364 (fragment 5) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 3 5WY 2,3-dihydro-1,4-benzodioxine-5-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.15 Å R-free 0.232
5FE5 Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 5 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.12 Å R-free 0.251
5FE5 Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 5 2QC 1-[4-(1,2,3-thiadiazol-4-yl)phenyl]methanamine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.12 Å R-free 0.251
5FE6 Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 8 5WZ (4-azanylpiperidin-1-yl)-cyclopropyl-methanone × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 1.77 Å R-free 0.212
5FE6 Crystal structure of human PCAF bromodomain in complex with fragment ZB1916 (fragment 10) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP Residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 1.77 Å R-free 0.212
5FE7 Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 1 5WU 1-(2-hydroxyethyl)-3-methyl-6,7-dihydro-5~{H}-indazol-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.08 Å R-free 0.213
5FE7 Crystal structure of human PCAF bromodomain in complex with fragment ZB2216 (fragment 11) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.08 Å R-free 0.213
5FE8 Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded 5WT ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)ethanamide × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.10 Å R-free 0.233
5FE8 Crystal structure of human PCAF bromodomain in complex with compound SL1126 (compound 12) Deposited 2015-12-16 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa） Fragment：PCAF bromodomain, UNP residues 715-831
Not recorded EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.10 Å R-free 0.233
5FE9 Crystal structure of human PCAF bromodomain in complex with compound SL1122 (compound 13) Deposited 2015-12-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 715–831（117 aa） Fragment：UNP residues 715-831
Chain B 715–831（117 aa） Fragment：UNP residues 715-831
Not recorded 5WS ~{N}-(1,4-dimethyl-2-oxidanylidene-quinolin-7-yl)methanesulfonamide × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.35 Å R-free 0.258
5LVQ Crystal structure of human PCAF bromodomain in complex with compound-D (CPD-D), N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide Deposited 2016-09-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa）
Not recorded EDO 1,2-ETHANEDIOL × 3 2LX N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.05 Å R-free 0.218
5LVQ Crystal structure of human PCAF bromodomain in complex with compound-D (CPD-D), N-methyl-2-(tetrahydro-2H-pyran-4-yloxy)benzamide Deposited 2016-09-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.05 Å R-free 0.218
5LVR Crystal structure of human PCAF bromodomain in complex with compound-E (CPD-E) Deposited 2016-09-14 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 715–831（117 aa）
Chain B 715–831（117 aa）
Not recorded EDO 1,2-ETHANEDIOL × 6 78Y 5-methyl-2-phenyl-1,2,3-triazole-4-carboxamide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；21-35% PEG 3350, 0.1 M Bis-Tris pH 5.5-7.0 or 21-40% medium-molecular-weight PEG smears (MMW PEG smears) buffered either with 0.1 M Bis-Tris pH 6.0-7.5 or 0.1 M Tris pH 7.5-8.8
Resolution 2.05 Å R-free 0.204
5MKX 1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one Deposited 2016-12-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa）
Not recorded 82I 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one × 1 SO4 SULFATE ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；278 K；Morpheus condition 37
Resolution 1.68 Å R-free 0.206
5MKX 1.68A STRUCTURE PCAF BROMODOMAIN WITH 4-chloro-2-methyl-5-(methylamino)pyridazin-3(2H)-one Deposited 2016-12-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa）
Not recorded 82I 4-chloranyl-2-methyl-5-(methylamino)pyridazin-3-one × 1 BU1 1,4-BUTANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；278 K；Morpheus condition 37
Resolution 1.68 Å R-free 0.206
6J3O Crystal structure of the human PCAF bromodomain in complex with compound 12 Deposited 2019-01-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 715–831（117 aa）
Not recorded B4L 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；100 mM HEPES pH 8.2, 26% PEG10000 (v/v), 4% glycol
Resolution 2.11 Å R-free 0.257
6J3O Crystal structure of the human PCAF bromodomain in complex with compound 12 Deposited 2019-01-05 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 715–831（117 aa）
Not recorded B4L 3-methyl-2-[[(3~{R})-1-methylpiperidin-3-yl]amino]-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；100 mM HEPES pH 8.2, 26% PEG10000 (v/v), 4% glycol
Resolution 2.11 Å R-free 0.257

24 other PDB entries and 39 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name PCAF_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 5–118； UniProt 448–561

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 1jm4

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1jm4
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1jm4
Deposition date deposition_date2001-07-17
Structure title titleNMR Structure of P/CAF Bromodomain in Complex with HIV-1 Tat Peptide
Keywords keywordsBromodomain, Protein-peptide Complex, TRANSFERASE; TRANSFERASE
Experimental Method methodSOLUTION NMR
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier16.12 Å
Radius of gyration Rg (electron density) rg_electron15.52 Å
Forward intensity I(0) i02026450000.00
Molecular weight molecular_weight388030.0 kDa
Excluded volume excluded_volume488050 ų
Envelope volume envelope_volume54388 ų
Hydration-shell volume shell_volume22361 ų
Envelope diameter envelope_diameter70.6 Å
Shell Rg shell_rg27.17 Å
Envelope Rg envelope_rg20.71 Å
Shape Rg shape_rg15.48 Å
Total Rg total_rg15.85 Å
Total atoms total_atoms54700
Residues n_residues3200
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 dmax62.7 Å
Rg (real space) rg_real16.19 Å
Rg uncertainty (real space) rg_real_error0.52 Å
I(0) (real space) i0_real2.0260e+09
I(0) uncertainty (real space) i0_real_error2.5150e+07
Rg (reciprocal space) rg_reciprocal16.18 Å
I(0) (reciprocal space) i0_reciprocal2026000000.0000
Solution quality estimate total_estimate0.6889
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary17.4 Å
Skewness Skewness skewness0.577
Kurtosis Kurtosis kurtosis0.197
Angular range angular_range— – 0.4950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha3774000.0000
Real-space data points n_real_points80
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.441; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.631; Smooth: 0.000
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 3 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd1jm4b1
Class classa — All alpha proteins
Fold Fold folda.29 — Bromodomain-like
Superfamily Superfamily superfamilya.29.2 — Bromodomain
Family Family familya.29.2.1 — Bromodomain
Domain ID domain_idd1jm4b2
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_id1jm4B00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology920 — Histone Acetyltransferase; Chain A
Homologous superfamily homologous superfamily10 — Bromodomain-like
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8. Citations (2)

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9. Files and Curves (10)