6pdg

Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83

Method: X-RAY DIFFRACTION D_max: 80.9 Å Quality: GOOD

▼

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

Histone acetyltransferase KAT8

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 177–448	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

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 6PDG	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
22TG Crystal Structure of MYST histone acetyltransferase KAT6A in complex with Compound 20 Deposited 2026-01-22	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：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
22TG Crystal Structure of MYST histone acetyltransferase KAT6A in complex with Compound 20 Deposited 2026-01-22	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 174–449（276 aa） 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
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 mutation/modification 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 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：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 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	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 mutation/modification 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 mutation/modification 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 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	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 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）	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 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）	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 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）	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 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 ligand/ion 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 ligand/ion 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 mutation/modification Different ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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 ligand/ion 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
7CMR The Crystal Structure of human MYST1 from Biortus. Deposited 2020-07-28	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 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 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）	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 44 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 1–272； UniProt 177–448

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

▼

2. Structure Basics 2. Structure Basics

Entry ID entry_id	6pdg
Deposition date deposition_date	2019-06-18
Structure title title	Crystal structure of MYST acetyltransferase domain in complex with inhibitor 83
Keywords keywords	Inhibitor, Complex, MYST, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex; TRANSFERASE/TRANSFERASE INHIBITOR
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	21.04 Å
Radius of gyration Rg (electron density) rg_electron	20.19 Å
Forward intensity I(0) i0	16563500.00
Molecular weight molecular_weight	31755.0 kDa
Excluded volume excluded_volume	40091 Å³
Envelope volume envelope_volume	46116 Å³
Hydration-shell volume shell_volume	19780 Å³
Envelope diameter envelope_diameter	82.9 Å
Shell Rg shell_rg	26.25 Å
Envelope Rg envelope_rg	20.73 Å
Shape Rg shape_rg	20.16 Å
Total Rg total_rg	21.13 Å
Total atoms total_atoms	2235
Residues n_residues	267
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

▼

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

Maximum dimension Dmax dmax	80.9 Å
Rg (real space) rg_real	21.09 Å
Rg uncertainty (real space) rg_real_error	0.85 Å
I(0) (real space) i0_real	1.6560e+07
I(0) uncertainty (real space) i0_real_error	2.5150e+05
Rg (reciprocal space) rg_reciprocal	21.08 Å
I(0) (reciprocal space) i0_reciprocal	16560000.0000
Solution quality estimate total_estimate	0.7917
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.6 Å
Skewness Skewness skewness	0.494
Kurtosis Kurtosis kurtosis	0.019
Angular range angular_range	— – 0.3800 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	4060000.0000
Real-space data points n_real_points	70
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.489; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.823; Smooth: 0.999

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (7)

Entity 1 Entity 1 polymer

Description description	Histone acetyltransferase KAT8
Molecular weight formula_weight	31941.8 kDa
EC 编号 ec_number	2.3.1.48
Mutation mutation	A142S, L145M, T146I, K157R, W204S
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2400

KYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDFRGTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPP

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	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	SODIUM ION
Molecular weight formula_weight	23.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 5 Entity 5 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 non-polymer

Description description	5-ethoxy-2-fluoro-3-methyl-N'-[(naphthalen-2-yl)sulfonyl]benzohydrazide
Molecular weight formula_weight	402.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	165

▼

7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d6pdga_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.108 — Acyl-CoA N-acyltransferases (Nat)
Superfamily Superfamily superfamily	d.108.1 — Acyl-CoA N-acyltransferases (Nat)
Family Family family	d.108.1.0 — automated matches

▶

8. Citations (1)

▶

Unit-cell length a length_a	45.923 Å
Unit-cell length b length_b	56.284 Å
Unit-cell length c length_c	123.743 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	4

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

Resolution resolution	1.919 Å
Low-resolution limit resolution_low	41.634 Å
R factor r_factor	0.1922
R_work r_work	0.1912
R_free r_free	0.2131

fit	/app/data/saxs_computation/pd/6pdg/6pdg.fit
pddf	/app/data/pr_computation/pd/6pdg/6pdg.pr.out
profile	/app/data/saxs_computation/pd/6pdg/6pdg.dat