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22tg

Crystal Structure of MYST histone acetyltransferase KAT6A in complex with Compound 20

Method: X-RAY DIFFRACTION Dmax: 92.6 Å Quality: EXCELLENT
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Histone acetyltransferase KAT8

Homo sapiens

UniProt Q9H7Z6

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 174–449 Fragment：BD1 domain Non-standard monomer：Yes (specific site not provided by mmCIF) A1MDU 2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；298.15 K；0.2 M Sod. Malonate, pH 6.0, 20% PEG3350 Resolution 2.40 Å R-free 0.372
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain C； UniProt 174–449 Fragment：BD1 domain Non-standard monomer：Yes (specific site not provided by mmCIF) A1MDU 2,6-dimethoxy-~{N}-[4-(pyrazol-1-ylmethyl)-2,3-dihydrofuro[2,3-e][1,2]benzoxazol-8-yl]benzenesulfonamide × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；298.15 K；0.2 M Sod. Malonate, pH 6.0, 20% PEG3350 Resolution 2.40 Å R-free 0.372

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 22TG Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
25VX Crystal Structure of MYST histone acetyltransferase KAT6A in complex with inhibitor Compound 9 Deposited 2026-04-20 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 176–446（271 aa）
Mutation：Y579H,A645S,L648M,T649I,K660R,I702N Non-standard monomer：Yes (specific site not provided by mmCIF) A1MGC 2,6-dimethoxy-~{N}-(5-phenyl-3,4-dihydro-2~{H}-pyrano[2,3-e][1,2]benzoxazol-9-yl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；0.2M Sod. Malonate, pH 6.0, 20% PEG 3350
Resolution 2.29 Å R-free 0.266
2PQ8 MYST histone acetyltransferase 1 Deposited 2007-05-01 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 174–449（276 aa） Fragment：Residues 174-449
Mutation：K274R ZN ZINC ION × 1 COA COENZYME A × 1 UNX UNKNOWN LIGAND × 13 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；291 K；24% PEG3350, 0.2 M Ammonium chloride, VAPOR DIFFUSION, temperature 291K
Resolution 1.45 Å R-free 0.231
2Y0M CRYSTAL STRUCTURE OF THE COMPLEX BETWEEN DOSAGE COMPENSATION FACTORS MSL1 AND MOF Deposited 2010-12-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 174–458（285 aa） Fragment：HAT DOMAIN, RESIDUES 174-458
Non-standard monomer：Yes (specific site not provided by mmCIF) ACO ACETYL COENZYME *A × 4 ZN ZINC ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 5；0.1 M SODIUM ACETATE (PH 5), 1.0 M SODIUM FORMATE.
Resolution 2.70 Å R-free 0.256
3QAH Crystal structure of apo-form human MOF catalytic domain Deposited 2011-01-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 174–449（276 aa） Fragment：apo-form human MOF catalytic domain, UNP residues 174-449
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M Bis-Tris, 0.2M MgCl2, 25% PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.10 Å R-free 0.228
3TOA Human MOF crystal structure with active site lysine partially acetylated Deposited 2011-09-04 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 177–458（282 aa） Fragment：UNP residues 177-447
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；25% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 3.00 Å R-free 0.265
3TOB Human MOF E350Q crystal structure with active site lysine partially acetylated Deposited 2011-09-04 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 177–458（282 aa） Fragment：UNP residues 177-447
Mutation：E350Q Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；25% PEG3350, 0.2 M magnesium chloride, 0.1 M Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 2.70 Å R-free 0.253
4DNC Crystal structure of human MOF in complex with MSL1 Deposited 2012-02-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 170–458（289 aa） Fragment：HAT domain (UNP residues 170-458)
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；1.6 M Li2SO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.05 Å R-free 0.246
4DNC Crystal structure of human MOF in complex with MSL1 Deposited 2012-02-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 170–458（289 aa） Fragment：HAT domain (UNP residues 170-458)
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；1.6 M Li2SO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.05 Å R-free 0.246
4DNC Crystal structure of human MOF in complex with MSL1 Deposited 2012-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 170–458（289 aa） Fragment：HAT domain (UNP residues 170-458)
Chain B 170–458（289 aa） Fragment：HAT domain (UNP residues 170-458)
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；1.6 M Li2SO4, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
Resolution 2.05 Å R-free 0.246
5H43 Structural and mechanistical studies of the nuclear import by Importin-alpha Deposited 2016-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric
Chain B 140–149（10 aa） Fragment：UNP residues 140-149
Chain C 128–142（15 aa） Fragment：UNP residues 128-142
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；3%(v/v) Tacsimate pH5.0, 0.1M Sodium citrate tribasic dehydrate pH5.6, 16%(w/v) PEG 3350
Resolution 2.30 Å R-free 0.243
5J8C Human MOF C316S, E350Q crystal structure Deposited 2016-04-07 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 177–458（282 aa） Fragment：UNP residues 177-458
Mutation：C316S E350Q Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 2 NA SODIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.2M Ammonium Chloride 28% PEG 3350 0.1M BisTris-HCL pH 6.5
Resolution 2.17 Å R-free 0.234
5J8F Human MOF K274P crystal structure Deposited 2016-04-07 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 177–458（282 aa） Fragment：UNP residues 177-458
Mutation：K274P ZN ZINC ION × 1 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.28M Ammonium Chloride 26%PEG 3350 0.1M BisTris-HCl pH 6.5
Resolution 2.60 Å R-free 0.276
5WCI Human MYST histone acetyltransferase 1 Deposited 2017-06-30 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 174–449（276 aa） Fragment：residues 174-449
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 1VU propionyl Coenzyme A × 1 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；20% PEG 3350, 0.2 M Na malonate pH5.0
Resolution 1.78 Å R-free 0.218
6BA2 Crystal structure of MYST acetyltransferase domain in complex with inhibitor Deposited 2017-10-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 174–449（276 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) CL CHLORIDE ION × 1 ZN ZINC ION × 1 GOL GLYCEROL × 5 NA SODIUM ION × 1 7KM 4-fluoro-5-methyl-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2 M NaCl, 0.1 M Tris pH 7.0, 0.22 M MgCl2
Resolution 1.85 Å R-free 0.228
6BA4 Crystal structure of MYST acetyltransferase domain in complex with Acetyl-CoA cofactor Deposited 2017-10-12 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 174–449（276 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 3 ACO ACETYL COENZYME *A × 1 7L1 S-{(3S,5R,9R)-1-[(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} ethanethioate × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；2 M NaCl, 0.1 M Tris pH 7.0, 0.22 M MgCl2
Resolution 1.95 Å R-free 0.213
6CT2 MYST histone acetyltransferase KAT6A/B in complex with WM-1119 Deposited 2018-03-22 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 174–449（276 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) FCV 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide × 1 ZN ZINC ION × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；281 K；0.196 M MgCl2, 19.5 % PEG 3350, and 0.1 M bis-tris chloride at pH 5.5
Resolution 2.13 Å R-free 0.235
6OIN Crystal structure of MYST acetyltransferase domain in complex with inhibitor CTX-124143 Deposited 2019-04-09 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 176–448（273 aa） Fragment：residues 176-448
Mutation：A142S, L145M, T146I, K157R Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 MQJ 2-fluoro-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；292 K；20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0
Resolution 1.70 Å R-free 0.220
6OIO Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 Deposited 2019-04-09 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 176–448（273 aa） Fragment：residues 176-448
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ML7 N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide × 1 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0
Resolution 1.70 Å R-free 0.221
6OIP Crystal structure of MYST acetyltransferase domain in complex with inhibitor 34 Deposited 2019-04-09 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 176–448（273 aa） Fragment：residues 177-448
Mutation：A142S, L145M, T146I, K157R Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 GOL GLYCEROL × 2 MLS 2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；292 K；20% PEG 3350, 0.2 M K/Na Tartrate
Resolution 1.80 Å R-free 0.222
6OIQ Crystal structure of MYST acetyltransferase domain in complex with inhibitor 63 Deposited 2019-04-09 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 176–448（273 aa） Fragment：residues 176-448
Mutation：A142S, L145M, T146I, K157R Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 MLV 2-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0
Resolution 1.75 Å R-free 0.227
6OIR Crystal structure of MYST acetyltransferase domain in complex with inhibitor 62 Deposited 2019-04-09 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 176–448（273 aa） Fragment：residues 176-448
Mutation：A142S, L145M, T146I, K157R Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 MNJ 4-fluoro-N'-(phenylsulfonyl)[1,1'-biphenyl]-3-carbohydrazide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；292 K；20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0
Resolution 2.03 Å R-free 0.221
6OWH Crystal structure of MYST acetyltransferase domain in complex with inhibitor 92 Deposited 2019-05-09 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 176–448（273 aa）
Mutation：A142S, L145M, T146I, K157R Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 GOL GLYCEROL × 2 NBJ N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；20% PEG 3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0
Resolution 2.00 Å R-free 0.225
6OWI Crystal structure of MYST acetyltransferase domain in complex with inhibitor 85 Deposited 2019-05-09 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 176–448（273 aa）
Mutation：A142S, L145M, T146I, K157R Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NB7 N'-[(2-fluorophenyl)sulfonyl]benzohydrazide × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；20% PEG3350, 2% Tacsimate pH 7.0, 0.1 M HEPES pH 7.0
Resolution 1.75 Å R-free 0.235
6PD8 Crystal structure of MYST acetyltransferase domain in complex with inhibitor 39 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 O9D 5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.74 Å R-free 0.245
6PD9 Crystal structure of MYST acetyltransferase domain in complex with inhibitor 60 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 O9G 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(1H-pyrazol-1-yl)benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.80 Å R-free 0.267
6PDA Crystal structure of MYST acetyltransferase domain in complex with inhibitor 74 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 O9J 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyridin-2-yl)benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.45 Å R-free 0.226
6PDB Crystal structure of MYST acetyltransferase domain in complex with inhibitor 80 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 O9M 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(pyrimidin-2-yl)benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.42 Å R-free 0.221
6PDC Crystal structure of MYST acetyltransferase domain in complex with inhibitor 42 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 O9P 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(prop-2-en-1-yl)oxy]benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 1.96 Å R-free 0.205
6PDD Crystal structure of MYST acetyltransferase domain in complex with inhibitor 41 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 O9S 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.15 Å R-free 0.212
6PDE Crystal structure of MYST acetyltransferase domain in complex with inhibitor 40 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 O9V 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.22 Å R-free 0.209
6PDF Crystal structure of MYST acetyltransferase domain in complex with inhibitor 55 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 O9Y 2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-(2H-1,2,3-triazol-2-yl)benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 2.22 Å R-free 0.202
6PDG Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83 Deposited 2019-06-18 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 177–448（272 aa）
Mutation：A142S, L145M, T146I, K157R, W204S Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 SO4 SULFATE ION × 1 O9A 5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；292 K；27% PEG 3350, 0.2 M ammonium sulfate, 0.1 M bis-tris pH 6.5
Resolution 1.92 Å R-free 0.213
7CMR The Crystal Structure of human MYST1 from Biortus. Deposited 2020-07-28 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–458（458 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M LiCl, 0.1M Hepes pH7, 20% PEG6,000
Resolution 2.20 Å R-free 0.263
8W13 Crystal structure of MYST acetyltransferase domain in complex with N-(1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl)-2-methoxybenzenesulfonamide Deposited 2024-02-15 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 174–449（276 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) A1AEW N-[(1M)-1-(5-bromo-2-methoxyphenyl)-1H-1,2,3-triazol-4-yl]-2-methoxybenzene-1-sulfonamide × 1 EDO 1,2-ETHANEDIOL × 9 CL CHLORIDE ION × 7 ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions EVAPORATION；pH 7；291 K；0.1M tris pH7.0,2M NaCl,0.22M MgCl2
Resolution 1.81 Å R-free 0.204
9OO9 Crystal structure of MYST acetyltransferase domain in complex with inhibitor 6 Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) R7L 2,6-dimethoxy-N-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}benzene-1-sulfonamide × 1 ZN ZINC ION × 1 NA SODIUM ION × 4 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；0.25 M Potassium/Sodium Tartrate, 20% PEG3350
Resolution 2.20 Å R-free 0.238
9OOA Crystal structure of MYST acetyltransferase domain in complex with inhibitor 7 Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 SO4 SULFATE ION × 1 NA SODIUM ION × 2 CL CHLORIDE ION × 2 GOL GLYCEROL × 2 A1CD4 N-(cyclohexylsulfamoyl)-2-hydroxy-6-methoxy-4-[(1H-pyrazol-1-yl)methyl]benzene-1-carboximidamide × 1 A1CD3 N-cyclohexyl-N'-{4-methoxy-6-[(1H-pyrazol-1-yl)methyl]-1,2-benzoxazol-3-yl}sulfuric diamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；294 K；0.1 M Bis-Tris HCl pH 5.5, 0.2 M Li2SO4, 9% PEG3350
Resolution 1.39 Å R-free 0.204
9OOB Crystal structure of MYST acetyltransferase domain in complex with inhibitor 8 Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) A1CDK 6-(azetidin-1-yl)-N-(2-ethoxy-6-methoxybenzene-1-sulfonyl)-4-fluoro-1-benzofuran-2-carboxamide × 1 ZN ZINC ION × 1 CL CHLORIDE ION × 3 NA SODIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；294 K；0.1 M Tris pH 7.0, 0.25 M MgCl2, 8% PEG8K
Resolution 1.83 Å R-free 0.208
9OOC Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10a Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 3 A1CDJ 4-fluoro-N'-[3-(methoxymethyl)benzene-1-sulfonyl]-5-methyl[1,1'-biphenyl]-3-carbohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350
Resolution 2.10 Å R-free 0.230
9OOD Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10c Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 3 A1CDI 5-ethoxy-2-fluoro-N'-(1H-indole-6-sulfonyl)-3-methylbenzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350
Resolution 2.20 Å R-free 0.250
9OOE Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10d Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 A1CDH N'-(1-benzothiophene-2-sulfonyl)-5-ethoxy-2-fluoro-3-methylbenzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350
Resolution 2.10 Å R-free 0.242
9OOF Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10e Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 3 A1CDG (5P)-3-fluoro-N'-(3-fluorothiophene-2-sulfonyl)-5-(pyridin-2-yl)benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350
Resolution 1.68 Å R-free 0.199
9OOH Crystal structure of MYST acetyltransferase domain in complex with inhibitor 10b Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 A1CDF 5-ethoxy-2-fluoro-N'-[3-(2-hydroxyethoxy)benzene-1-sulfonyl]benzohydrazide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350
Resolution 2.05 Å R-free 0.247
9OOJ Crystal structure of MYST acetyltransferase domain in complex with inhibitor 18c Deposited 2025-05-15 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 174–449（276 aa）
Mutation：A142S, L145M, T146I, K157R, S204W Non-standard monomer：Yes (specific site not provided by mmCIF) ZN ZINC ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 2 A1CDE N-[(2S)-2-(1,3-oxazol-2-yl)-2-phenylethyl]-1,1-dioxo-1,2-dihydro-1lambda~6~-thieno[3,2-e][1,2,4]thiadiazine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；294 K；0.1 M HEPES pH7.5, 0.2-0.3 M NaCl, 12.5-15% PEG3350
Resolution 1.82 Å R-free 0.224

41 other PDB entries and 43 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name KAT8_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 20–295； UniProt 174–449 Author chain C； PDBConstruct 20–295； UniProt 174–449

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 22tg

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 22tg
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2. Structure Basics 2. Structure Basics

Entry ID entry_id22tg
Deposition date deposition_date2026-01-22
最后修订 last_revision2026-03-11
Structure title titleCrystal Structure of MYST histone acetyltransferase KAT6A in complex with Compound 20
Keywords keywordsKat6A, Inhibitor, Small molecule, Drug discovery, Acetyltransferase, TRANSCRIPTION; TRANSCRIPTION
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier29.13 Å
Radius of gyration Rg (electron density) rg_electron28.53 Å
Forward intensity I(0) i0109254000.00
Molecular weight molecular_weight57061.0 kDa
Excluded volume excluded_volume56328 ų
Envelope volume envelope_volume99633 ų
Hydration-shell volume shell_volume29355 ų
Envelope diameter envelope_diameter99.8 Å
Shell Rg shell_rg35.31 Å
Envelope Rg envelope_rg28.54 Å
Shape Rg shape_rg28.52 Å
Total Rg total_rg29.08 Å
Total atoms total_atoms4369
Residues n_residues513
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 dmax92.6 Å
Rg (real space) rg_real29.09 Å
Rg uncertainty (real space) rg_real_error0.79 Å
I(0) (real space) i0_real1.0930e+08
I(0) uncertainty (real space) i0_real_error1.6950e+06
Rg (reciprocal space) rg_reciprocal29.11 Å
I(0) (reciprocal space) i0_reciprocal109300000.0000
Solution quality estimate total_estimate0.9040
Solution quality rating solution_quality EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary27.4 Å
Skewness Skewness skewness0.196
Kurtosis Kurtosis kurtosis-0.653
Angular range angular_range— – 0.2700 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha20590000.0000
Real-space data points n_real_points55
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.988
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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8. Citations (1)

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9. Files and Curves (10)