9r9c

Crystal structure of TRIM24 PHD-bromodomain with XS839112

Method: X-RAY DIFFRACTION D_max: 78.5 Å Quality: EXCELLENT

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

Transcription intermediary factor 1-alpha

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 824–1006	Not recorded	ZINC ION × 2 1,2-ETHANEDIOL × 7 GLYCEROL × 1 DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions	Resolution 1.59 Å R-free 0.196
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 824–1006	Not recorded	ZINC ION × 2 1,2-ETHANEDIOL × 4 GLYCEROL × 2 (4~{S})-6-[[1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3-triazol-4-yl]methylamino]-1,4-dimethyl-3,4-dihydroquinolin-2-one × 1 TETRAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed experimental conditions	Resolution 1.59 Å R-free 0.196

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 9R9C	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
2YYN Crystal structure of human bromodomain protein Deposited 2007-04-30	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 891–1012（122 aa） Fragment：bromo domain Chain B 891–1012（122 aa） Fragment：bromo domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.50 Å R-free 0.285
2YYN Crystal structure of human bromodomain protein Deposited 2007-04-30	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 891–1012（122 aa） Fragment：bromo domain Chain D 891–1012（122 aa） Fragment：bromo domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.50 Å R-free 0.285
2YYN Crystal structure of human bromodomain protein Deposited 2007-04-30	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 891–1012（122 aa） Fragment：bromo domain Chain B 891–1012（122 aa） Fragment：bromo domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.50 Å R-free 0.285
2YYN Crystal structure of human bromodomain protein Deposited 2007-04-30	Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 891–1012（122 aa） Fragment：bromo domain Chain D 891–1012（122 aa） Fragment：bromo domain	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.4；293 K；0.2M ammonium acetate, 0.1M HEPES, 25% PEG 3350, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 2.50 Å R-free 0.285
3O33 Crystal structure of TRIM24 PHD-Bromo in the free state Deposited 2010-07-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM Hepes (pH 7.5), 2.0 M ammonium sulfate and 2% Polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.244
3O33 Crystal structure of TRIM24 PHD-Bromo in the free state Deposited 2010-07-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM Hepes (pH 7.5), 2.0 M ammonium sulfate and 2% Polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.244
3O33 Crystal structure of TRIM24 PHD-Bromo in the free state Deposited 2010-07-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM Hepes (pH 7.5), 2.0 M ammonium sulfate and 2% Polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.244
3O33 Crystal structure of TRIM24 PHD-Bromo in the free state Deposited 2010-07-23	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；100 mM Hepes (pH 7.5), 2.0 M ammonium sulfate and 2% Polyethylene glycol 400, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.244
3O34 Crystal structure of TRIM24 PHD-Bromo complexed with H3(13-32)K23ac peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 BTN BIOTIN × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；100 mM Na-citrate (pH 5.6), 200 mM K/Na-tartrate tetrahydrate and 1.6 M ammonium sulfate , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.90 Å R-free 0.241
3O35 Crystal structure of TRIM24 PHD-Bromo complexed with H3(23-31)K27ac peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；200 mM Na-acetate, 30% Polyethylene glycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.76 Å R-free 0.225
3O35 Crystal structure of TRIM24 PHD-Bromo complexed with H3(23-31)K27ac peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；293 K；200 mM Na-acetate, 30% Polyethylene glycol 4000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.76 Å R-free 0.225
3O36 Crystal structure of TRIM24 PHD-Bromo complexed with H4(14-19)K16ac peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；50 mM Bis-Tris (pH 6.5), 30% Polyethylene glycol 3350, 100 mM ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.70 Å R-free 0.216
3O36 Crystal structure of TRIM24 PHD-Bromo complexed with H4(14-19)K16ac peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；50 mM Bis-Tris (pH 6.5), 30% Polyethylene glycol 3350, 100 mM ammonium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 1.70 Å R-free 0.216
3O37 Crystal structure of TRIM24 PHD-Bromo complexed with H3(1-10)K4 peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；50 mM Tris (pH 7.5), 30% Polyethylene glycol monomethyl ether 5000 and 100 mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.254
3O37 Crystal structure of TRIM24 PHD-Bromo complexed with H3(1-10)K4 peptide Deposited 2010-07-23	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 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；50 mM Tris (pH 7.5), 30% Polyethylene glycol monomethyl ether 5000 and 100 mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.254
3O37 Crystal structure of TRIM24 PHD-Bromo complexed with H3(1-10)K4 peptide Deposited 2010-07-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；50 mM Tris (pH 7.5), 30% Polyethylene glycol monomethyl ether 5000 and 100 mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.254
3O37 Crystal structure of TRIM24 PHD-Bromo complexed with H3(1-10)K4 peptide Deposited 2010-07-23	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；50 mM Tris (pH 7.5), 30% Polyethylene glycol monomethyl ether 5000 and 100 mM NaCl , VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.00 Å R-free 0.254
4YAB Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1) Deposited 2015-02-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4CN 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.90 Å R-free 0.219
4YAB Crystal structure of TRIM24 PHD-bromodomain complexed with 1-methyl-5-(2-methyl-1 3-thiazol-4-yl)-2 3-dihydro-1H-indol-2-one (1) Deposited 2015-02-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4CN 1-methyl-5-(2-methyl-1,3-thiazol-4-yl)-1,3-dihydro-2H-indol-2-one × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.90 Å R-free 0.219
4YAD Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b) Deposited 2015-02-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4A7 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.73 Å R-free 0.208
4YAD Crystal structure of TRIM24 PHD-bromodomain complexed with 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzene-1-sulfonamide (3b) Deposited 2015-02-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4A7 2,4-dimethoxy-N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)benzenesulfonamide × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.73 Å R-free 0.208
4YAT Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) Deposited 2015-02-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4A8 N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 2.18 Å R-free 0.165
4YAT Crystal structure of TRIM24 PHD-bromodomain complexed with N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-4-methoxybenzene-1-sulfonamide (5b) Deposited 2015-02-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4A8 N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-4-methoxybenzenesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 2.18 Å R-free 0.165
4YAX Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) Deposited 2015-02-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	4AE N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide × 1 ZN ZINC ION × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 2.25 Å R-free 0.235
4YAX Crystal structure of TRIM24 PHD-bromodomain complexed with N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl]benzenesulfonamide (5g) Deposited 2015-02-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	4AE N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide × 1 ZN ZINC ION × 2 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 2.25 Å R-free 0.235
4YBM Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b) Deposited 2015-02-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.46 Å R-free 0.196
4YBM Crystal structure of TRIM24 PHD-bromodomain complexed with N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide (7b) Deposited 2015-02-18	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 GOL GLYCEROL × 2 4BJ N-{6-[3-(benzyloxy)phenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-3,4-dimethoxybenzenesulfonamide × 2 SO4 SULFATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.46 Å R-free 0.196
4YBS Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide (7g) Deposited 2015-02-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 4BK N-{1,3-dimethyl-6-[3-(2-methylpropoxy)phenoxy]-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}-1,2-dimethyl-1H-imidazole-4-sulfonamide × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.83 Å R-free 0.231
4YBT Crystal structure of TRIM24 PHD-bromodomain complexed with N-{1,3-dimethyl-2-oxo-6-[3-(oxolan-3-ylmethoxy)phenoxy]-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-1-methyl-1H-imidazole-4-sulfonamide (7l) Deposited 2015-02-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 1 4BV N-(1,3-dimethyl-2-oxo-6-{3-[(3S)-tetrahydrofuran-3-ylmethoxy]phenoxy}-2,3-dihydro-1H-benzimidazol-5-yl)-1-methyl-1H-imidazole-4-sulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.82 Å R-free 0.209
4YC9 Crystal structure of TRIM24 PHD-bromodomain complexed with N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl)-3,4-dimethoxybenzene-1-sulfonamide (8i) Deposited 2015-02-19	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：bromodomain (UNP residues 824-1006)	Not recorded	ZN ZINC ION × 2 GOL GLYCEROL × 1 4C1 N-(6-{3-[4-(dimethylamino)butoxy]-5-propoxyphenoxy}-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-3,4-dimethoxybenzenesulfonamide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；298 K；2.2-2.4M ammonium sulfate, 0.1M HEPES buffer pH 7.5, 2% PEG400 and 8-9% glycerol	Resolution 1.82 Å R-free 0.203
4ZQL Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor Deposited 2015-05-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 791–972（182 aa） Fragment：residues 791-972	Not recorded	ZN ZINC ION × 2 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；0.1M HEPES pH 7.5, 2M ammonium sulfate, 2%(v/v) PEG 400	Resolution 1.79 Å R-free 0.199
4ZQL Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor Deposited 2015-05-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 791–972（182 aa） Fragment：residues 791-972	Not recorded	ZN ZINC ION × 2 SO4 SULFATE ION × 1 4QH 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide × 1 1PE PENTAETHYLENE GLYCOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；0.1M HEPES pH 7.5, 2M ammonium sulfate, 2%(v/v) PEG 400	Resolution 1.79 Å R-free 0.199
5H1T Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 7FF methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.95 Å R-free 0.220
5H1T Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 7FF methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.95 Å R-free 0.220
5H1T Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 7FF methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.95 Å R-free 0.220
5H1T Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 7FF methyl 6-azanyl-3,4-dihydro-2H-quinoline-1-carboxylate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.95 Å R-free 0.220
5H1U Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	6KT 2-amino-1,3-benzothiazole-6-carboxamide × 1 ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.90 Å R-free 0.269
5H1U Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	6KT 2-amino-1,3-benzothiazole-6-carboxamide × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.90 Å R-free 0.269
5H1U Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	6KT 2-amino-1,3-benzothiazole-6-carboxamide × 1 ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.90 Å R-free 0.269
5H1U Complex structure of TRIM24 PHD-bromodomain and inhibitor 2 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	6KT 2-amino-1,3-benzothiazole-6-carboxamide × 1 ZN ZINC ION × 2 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 1.90 Å R-free 0.269
5H1V Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 7FU 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 2.00 Å R-free 0.220
5H1V Complex structure of TRIM24 PHD-bromodomain and inhibitor 6 Deposited 2016-10-11	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 824–1006（183 aa） Fragment：UNP residues 824-1006	Not recorded	ZN ZINC ION × 2 7FU 2-Hydrazino-1,3-benzothiazole-6-carbohydrazide × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.1 M HEPES sodium, 2%(v/v) Polyethylene glycol 400, 2.0 M Ammonium sulfate	Resolution 2.00 Å R-free 0.220
7B9X NMR2 structure of TRIM24-BD in complex with a precursor of IACS-9571 Deposited 2020-12-14	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 901–1006（106 aa）	Not recorded	T52 N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide × 1	SOLUTION NMR NMR measurement conditions pH 7.4；303 K；Ionic strength (raw mmCIF value) 150；Pressure 1 NMR sample composition 1.1 mM [U-13C; U-15N] TRIM24-BD, 50 mM [U-2H] HEPES, 100 mM sodium chloride, 1 mM TCEP, 10 % [U-2H] D2O, 1.1 mM N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 50 mM [U-2H] HEPES, 100 mM sodium chloride, 1 mM TCEP, 10 % [U-2H] D2O, 1.1 % N-{6-[3-(4-Aminobutoxy)-5-propoxyphenoxy]-1,3-dimethyl-2-oxo-2,3-dihydro-1H-1,3-benzodiazol-5-yl}-3,4-dimethoxybenzene-1-sulfonamide, 90% H2O/10% D2O \| 90% H2O/10% D2O	Resolution not provided
9GD5 Crystal structure of apo TRIM24 PHD-BRD in C121 space group Deposited 2024-08-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 825–1007（183 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2M ammonium sulfate, 0.1M HEPES (pH 7.9), 2% PEG400, 8% glycerol	Resolution 1.68 Å R-free 0.240
9GD5 Crystal structure of apo TRIM24 PHD-BRD in C121 space group Deposited 2024-08-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 825–1007（183 aa）	Not recorded	ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；2M ammonium sulfate, 0.1M HEPES (pH 7.9), 2% PEG400, 8% glycerol	Resolution 1.68 Å R-free 0.240
9GDG Crystal structure of TRIM24 PHD-BRD in complex with N-(2-(2-(2-acetamidoethoxy)ethoxy)ethyl)-3-(N-(1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzamide (PEG linker unresolved) Deposited 2024-08-05	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 825–1007（183 aa）	Not recorded	A1IKF N-(2-(2-(2-acetamidoethoxy)ethoxy)ethyl)-3-(N-(1,3-dimethyl-2-oxo-6-(3-propoxyphenoxy)-2,3-dihydro-1H-benzo[d]imidazol-5-yl)sulfamoyl)benzamide × 1 ZN ZINC ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.3；293 K；1.8 M ammonium sulfate, 0.1 M HEPES (pH 7.3), 5% PEG400	Resolution 1.46 Å R-free 0.210

21 other PDB entries and 46 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	TIF1A_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 2–184； UniProt 824–1006 Author chain B； PDBConstruct 2–184； UniProt 824–1006

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	9r9c
Deposition date deposition_date	2025-05-19
最后修订 last_revision	2026-06-03
Structure title title	Crystal structure of TRIM24 PHD-bromodomain with XS839112
Keywords keywords	TRIM-family protein, PHD finger, bromodomain, drug discovery, enantioselective protein affinity selection mass spectrometry, LIGASE; LIGASE
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	26.37 Å
Radius of gyration Rg (electron density) rg_electron	25.84 Å
Forward intensity I(0) i0	56167500.00
Molecular weight molecular_weight	39413.0 kDa
Excluded volume excluded_volume	38259 Å³
Envelope volume envelope_volume	70427 Å³
Hydration-shell volume shell_volume	23085 Å³
Envelope diameter envelope_diameter	81.6 Å
Shell Rg shell_rg	32.84 Å
Envelope Rg envelope_rg	25.54 Å
Shape Rg shape_rg	25.92 Å
Total Rg total_rg	26.33 Å
Total atoms total_atoms	2943
Residues n_residues	355
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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

Maximum dimension Dmax dmax	78.5 Å
Rg (real space) rg_real	26.39 Å
Rg uncertainty (real space) rg_real_error	0.59 Å
I(0) (real space) i0_real	5.6170e+07
I(0) uncertainty (real space) i0_real_error	7.6010e+05
Rg (reciprocal space) rg_reciprocal	26.38 Å
I(0) (reciprocal space) i0_reciprocal	56170000.0000
Solution quality estimate total_estimate	0.9060
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	24.9 Å
Skewness Skewness skewness	0.241
Kurtosis Kurtosis kurtosis	-0.756
Angular range angular_range	— – 0.3000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6500000.0000
Real-space data points n_real_points	61
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.974; Stabil: 0.989; Sysdev: 1.000; Positv: 1.000; Valcen: 0.939; Smooth: 0.945

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (8)

Entity 1 Entity 1 polymer

Description description	Transcription intermediary factor 1-alpha
Molecular weight formula_weight	21318.4 kDa
EC 编号 ec_number	2.3.2.27
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	3296

SPNEDWCAVCQNGGELLCCEKCPKVFHLSCHVPTLTNFPSGEWICTFCRDLSKPEVEYDCDAPSHNSEKKKTEGLVKLTPIDKRKCERLLLFLYCHEMSLAFQDPVPLTVPDYYKIIKNPMDLSTIKKRLQEDYSMYSKPEDFVADFRLIFQNCAEFNEPDSEVANAGIKLENYFEELLKNLYP

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	4

Entity 3 Entity 3 non-polymer

Description description	1,2-ETHANEDIOL
Molecular weight formula_weight	62.1 kDa
Source method src_method	syn
Copy count entity_count	11

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	3

Entity 5 Entity 5 non-polymer

Description description	DIMETHYL SULFOXIDE
Molecular weight formula_weight	78.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 6 Entity 6 non-polymer

Description description	(4~{S})-6-[[1-(3-chloranyl-4-fluoranyl-phenyl)-1,2,3-triazol-4-yl]methylamino]-1,4-dimethyl-3,4-dihydroquinolin-2-one
Molecular weight formula_weight	399.8 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 7 Entity 7 non-polymer

Description description	TETRAETHYLENE GLYCOL
Molecular weight formula_weight	194.2 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 8 Entity 8 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	311

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8. Citations (1)

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Unit-cell length a length_a	89.110 Å
Unit-cell length b length_b	36.823 Å
Unit-cell length c length_c	129.419 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	110.10 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	monoclinic

Resolution resolution	1.590 Å
Low-resolution limit resolution_low	60.800 Å
R factor r_factor	0.1505
R_work r_work	0.1481
R_free r_free	0.1957

fit	/app/data/saxs_computation/r9/9r9c/9r9c.fit
pddf	/app/data/pr_computation/r9/9r9c/9r9c.pr.out
profile	/app/data/saxs_computation/r9/9r9c/9r9c.dat