7ulj

Hsp90b N-terminal domain in complex with 42C

Method: X-RAY DIFFRACTION D_max: 114.1 Å Quality: GOOD

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

Heat shock protein HSP 90-beta

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 1–218	Not recorded	42C N,N-dimethyl-7H-purin-6-amine × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M Sodium cacodylate pH 6.5, 0.1 M Sodium acetate, 5% MPD and 25% PEG8000	Resolution 1.82 Å R-free 0.219
2	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain B； UniProt 1–218	Not recorded	42C N,N-dimethyl-7H-purin-6-amine × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M Sodium cacodylate pH 6.5, 0.1 M Sodium acetate, 5% MPD and 25% PEG8000	Resolution 1.82 Å R-free 0.219
3	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain C； UniProt 1–218	Not recorded	42C N,N-dimethyl-7H-purin-6-amine × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M Sodium cacodylate pH 6.5, 0.1 M Sodium acetate, 5% MPD and 25% PEG8000	Resolution 1.82 Å R-free 0.219
4	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain D； UniProt 1–218	Not recorded	42C N,N-dimethyl-7H-purin-6-amine × 1 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M Sodium cacodylate pH 6.5, 0.1 M Sodium acetate, 5% MPD and 25% PEG8000	Resolution 1.82 Å R-free 0.219

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB	Difference from Current Entry 7ULJ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1QZ2 Crystal Structure of FKBP52 C-terminal Domain complex with the C-terminal peptide MEEVD of Hsp90 Deposited 2003-09-15	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain G 719–723（5 aa） Chain H 719–723（5 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；291 K；Sodium Citrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K	Resolution 3.00 Å R-free 0.287
1UYM Human Hsp90-beta with PU3 (9-Butyl-8(3,4,5-trimethoxy-benzyl)-9H-purin-6-ylamine) Deposited 2004-03-02	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Not recorded	PU3 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；25% PEG MME 2000, 0.1M NA CACODYLATE, PH6.5, 0.2M MGCL2., pH 6.50	Resolution 2.45 Å R-free 0.294
3FWV Crystal Structure of a Redesigned TPR Protein, T-MOD(VMY), in Complex with MEEVF Peptide Deposited 2009-01-19	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 C 719–723（5 aa） Fragment：C-terminal residues	Non-standard monomer：Yes (specific site not provided by mmCIF)	NI NICKEL (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；100 mM Tris pH 8.5, 30% PEG MME 2000, 5-10 mM NiCl2, 10% xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.20 Å R-free 0.244
3FWV Crystal Structure of a Redesigned TPR Protein, T-MOD(VMY), in Complex with MEEVF Peptide Deposited 2009-01-19	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 D 719–723（5 aa） Fragment：C-terminal residues	Non-standard monomer：Yes (specific site not provided by mmCIF)	NI NICKEL (II) ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；298 K；100 mM Tris pH 8.5, 30% PEG MME 2000, 5-10 mM NiCl2, 10% xylitol, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 2.20 Å R-free 0.244
3NMQ Hsp90b N-terminal domain in complex with EC44, a pyrrolo-pyrimidine methoxypyridine inhibitor Deposited 2010-06-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–223（223 aa） Fragment：N-terminal domain (UNP residues 1-223)	Not recorded	7PP 5-{2-amino-4-chloro-7-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-methylpent-4-yn-2 -ol × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 6.5；277 K；0.1M Na Cacodylate, 20% PEG 2000 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.20 Å R-free 0.267
3PRY Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution Deposited 2010-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 284–543（260 aa） Fragment：middle domain (UNP residues 284-543)	Not recorded	SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；25.5% PEG3350, 0.17 M ammonium sulfate, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K	Resolution 2.28 Å R-free 0.217
3PRY Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution Deposited 2010-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 284–543（260 aa） Fragment：middle domain (UNP residues 284-543)	Not recorded	SO4 SULFATE ION × 1 GOL GLYCEROL × 1 EDO 1,2-ETHANEDIOL × 4	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；25.5% PEG3350, 0.17 M ammonium sulfate, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K	Resolution 2.28 Å R-free 0.217
3PRY Crystal structure of the middle domain of human HSP90-beta refined at 2.3 A resolution Deposited 2010-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 284–543（260 aa） Fragment：middle domain (UNP residues 284-543)	Not recorded	EDO 1,2-ETHANEDIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；25.5% PEG3350, 0.17 M ammonium sulfate, 15% glycerol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293.15K	Resolution 2.28 Å R-free 0.217
5FWK Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Deposited 2016-02-17	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–724（724 aa） Fragment：FULL LENGTH Chain B 1–724（724 aa） Fragment：FULL LENGTH	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer 20MM TRIS-HCL (PH 7.5), 150 MM NACL, 10 MM KCL, 10 MM MGCL2, 20 MM NA2MOO4, 2MM DTT, 0.085MM DDM；pH 7.5；20MM TRIS-HCL (PH 7.5), 150 MM NACL, 10 MM KCL, 10 MM MGCL2, 20 MM NA2MOO4, 2MM DTT, 0.085MM DDM cryo-EM vitrification conditions Cryogen ETHANE；LIQUID ETHANE	Resolution 3.90 Å
5FWL Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Deposited 2016-02-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer 20MM TRIS-HCL, 150 MM NACL, 10MM KCL, 10MM MGCL2, 20MM NA2MOO4, 2MM DTT, 0.085MM DDM；pH 7.5；20MM TRIS-HCL, 150 MM NACL, 10MM KCL, 10MM MGCL2, 20MM NA2MOO4, 2MM DTT, 0.085MM DDM cryo-EM vitrification conditions Cryogen ETHANE	Resolution 9.00 Å
5FWM Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Deposited 2016-02-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer 20MM TRIS-HCL (PH 7.5), 150 MM NACL, 10 MM KCL, 10 MM MGCL2, 20 MM NA2MOO4, 2MM DTT, 0.085MM DDM；pH 7.5；20MM TRIS-HCL (PH 7.5), 150 MM NACL, 10 MM KCL, 10 MM MGCL2, 20 MM NA2MOO4, 2MM DTT, 0.085MM DDM cryo-EM vitrification conditions Cryogen ETHANE；LIQUID ETHANE	Resolution 8.00 Å
5FWP Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex Deposited 2016-02-18	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；20mM Tris-HCl (pH 7.5), 150 mM NaCl, 10 mM KCl, 10 mM MgCl2, 20 mM Na2MoO4, 2mM DTT, 0.085mM DDM cryo-EM vitrification conditions Single blot from 4 to 6 seconds, at 20C；95 K；Cryogen ETHANE；LIQUID ETHANE	Resolution 7.20 Å
5UC4 Hsp90b N-terminal domain with inhibitors Deposited 2016-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa） Fragment：N-terminal domain (UNP residues 1-218)	Not recorded	83S 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.05 Å R-free 0.207
5UC4 Hsp90b N-terminal domain with inhibitors Deposited 2016-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–218（218 aa） Fragment：N-terminal domain (UNP residues 1-218)	Not recorded	83S 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.05 Å R-free 0.207
5UC4 Hsp90b N-terminal domain with inhibitors Deposited 2016-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–218（218 aa） Fragment：N-terminal domain (UNP residues 1-218)	Not recorded	83S 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.05 Å R-free 0.207
5UC4 Hsp90b N-terminal domain with inhibitors Deposited 2016-12-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–218（218 aa） Fragment：N-terminal domain (UNP residues 1-218)	Not recorded	83S 5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylbenzaldehyde × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.05 Å R-free 0.207
5UCH Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	871 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.65 Å R-free 0.226
5UCH Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	871 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.65 Å R-free 0.226
5UCH Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	871 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.65 Å R-free 0.226
5UCH Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	871 2-(5-Hydroxy-4-(isoindoline-2-carbonyl)-2-isopropylphenyl)acetonitrile × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.65 Å R-free 0.226
5UCI Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	874 (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.70 Å R-free 0.238
5UCI Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	874 (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.70 Å R-free 0.238
5UCI Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	874 (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.70 Å R-free 0.238
5UCI Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	874 (2,4-Dihydroxy-3-(hydroxymethyl)-5-isopropylphenyl)(isoindolin-2-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 2.70 Å R-free 0.238
5UCJ Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 1.69 Å R-free 0.197
5UCJ Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 1.69 Å R-free 0.197
5UCJ Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 1.69 Å R-free 0.197
5UCJ Hsp90b N-terminal domain with inhibitors Deposited 2016-12-22	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–218（218 aa） Fragment：UNP residues 1-218	Not recorded	KU3 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray crystallization conditions EVAPORATION；293 K；30% PEG 8,000, 0.2 M sodium acetate, 0.1 sodium cacodylate pH 6.5	Resolution 1.69 Å R-free 0.197
6N8W Structure of Unliganded Hsp90-Beta N-Terminal Domain Deposited 2018-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–231（231 aa）	Not recorded	GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；Tris-HCl pH 8.5, MgCl2, PEG 4000, Glycerol	Resolution 3.09 Å R-free 0.286
6N8W Structure of Unliganded Hsp90-Beta N-Terminal Domain Deposited 2018-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–231（231 aa）	Not recorded	GOL GLYCEROL × 10	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；Tris-HCl pH 8.5, MgCl2, PEG 4000, Glycerol	Resolution 3.09 Å R-free 0.286
6N8W Structure of Unliganded Hsp90-Beta N-Terminal Domain Deposited 2018-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–231（231 aa）	Not recorded	GOL GLYCEROL × 12	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；Tris-HCl pH 8.5, MgCl2, PEG 4000, Glycerol	Resolution 3.09 Å R-free 0.286
6N8W Structure of Unliganded Hsp90-Beta N-Terminal Domain Deposited 2018-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–231（231 aa）	Not recorded	GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；296 K；Tris-HCl pH 8.5, MgCl2, PEG 4000, Glycerol	Resolution 3.09 Å R-free 0.286
6N8Y Hsp90-beta bound to PU-11-trans Deposited 2018-11-30	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–221（221 aa）	Not recorded	KFY 9-[(2E)-but-2-en-1-yl]-8-[(3,4,5-trimethoxyphenyl)methyl]-9H-purin-6-amine × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；MES pH 6.5, MgCl2, PEG 2000 MME. Incubate with PU-11-trans prior to setup.	Resolution 1.55 Å R-free 0.183
7Z37 Structure of the RAF1-HSP90-CDC37 complex (RHC-II) Deposited 2022-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain AP1 3–724（722 aa） Chain BP1 3–724（722 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE；blot for 3 seconds before plunging	Resolution 3.67 Å
7Z38 Structure of the RAF1-HSP90-CDC37 complex (RHC-I) Deposited 2022-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 3–724（722 aa） Chain B 3–724（722 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE；blot for 3 seconds before plunging	Resolution 3.16 Å
7ZR0 CryoEM structure of HSP90-CDC37-BRAF(V600E) complex. Deposited 2022-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.40 Å
7ZR5 CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(closed) complex Deposited 2022-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å
7ZR6 CryoEM structure of HSP90-CDC37-BRAF(V600E)-PP5(open) complex Deposited 2022-05-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 4.20 Å
7ZUB Cryo-EM structure of the indirubin-bound Hsp90-XAP2-AHR complex Deposited 2022-05-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 2–724（723 aa） Chain B 2–724（723 aa）	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 MOO MOLYBDATE ION × 2 JY6 (3~{Z})-3-(3-oxidanylidene-1~{H}-indol-2-ylidene)-1~{H}-indol-2-one × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.85 Å
8EOA Cryo-EM structure of human HSP90B-AIPL1 complex Deposited 2022-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 2–724（723 aa） Chain B 2–724（723 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；25 mM HEPES, 200 mM NaCl, 1 mM TCEP, pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.90 Å
8EOB Cryo-EM structure of human HSP90B in the closed state Deposited 2022-10-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–724（723 aa） Chain B 2–724（723 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5；25 mM HEPES, 200 mM NaCl, 1 mM TCEP, pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.10 Å
8GAE Hsp90 provides platform for CRaf dephosphorylation by PP5 Deposited 2023-02-22	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	K POTASSIUM ION × 2 MG MAGNESIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MN MANGANESE (II) ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE；3UL OF SAMPLE 10C 100% HUMIDITY 30S WAIT TIME 3S BLOT TIME -2 BLOT FORCE	Resolution 3.30 Å
8GFT Hsp90 provides platform for CRaf dephosphorylation by PP5 Deposited 2023-03-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 K POTASSIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MN MANGANESE (II) ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE；3uL OF SAMPLE, 10C, 100% HUMIDITY, 30S WAIT TIME, 3S BLOT TIME, -2 BLOT FORCE	Resolution 3.80 Å
8QMO Cryo-EM structure of the benzo[a]pyrene-bound Hsp90-XAP2-AHR complex Deposited 2023-09-24	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 2–724（723 aa） Chain B 2–724（723 aa）	Not recorded	MOO MOLYBDATE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 W62 benzo[a]pyrene × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.76 Å
9D9H Human Hsp90b nucleotide binding domain in complex with BRI2311 Deposited 2024-08-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–223（223 aa） Fragment：nucleotide binding domain	Not recorded	A1A26 (1P)-3-amino-6-[({1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]piperidin-4-yl}amino)methyl]-1-(4-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazin-2(1H)-one × 1 CL CHLORIDE ION × 5	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；21% PEG8000, 0.1M Hepes pH 7.5,1M LiCl	Resolution 1.96 Å R-free 0.208
9D9I Human Hsp90b nucleotide binding domain in complex with BRI2312 Deposited 2024-08-21	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–223（223 aa） Fragment：nucleotide binding domain	Not recorded	A1A24 (1P)-3-amino-6-[({1-[(2R)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]piperidin-4-yl}amino)methyl]-1-(4-phenyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)thieno[2,3-b]pyrazin-2(1H)-one × 1 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；21% PEG6000, 0.1M NaCacodylate pH 6.6, 1M Li	Resolution 1.50 Å R-free 0.187
9W5I AGO maturation complex (AMC): AGO2-miRNA duplex in complex with Hsp90 beta and co-chaperone p23 Deposited 2025-08-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein–RNA Heteromer；Protein × 4 PDB declaration: hexameric	Chain A 1–724（724 aa） Chain B 1–724（724 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2 MG MAGNESIUM ION × 3	ELECTRON MICROSCOPY cryo-EM buffer pH 8 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.63 Å

29 other PDB entries and 47 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	HS90B_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 4–221； UniProt 1–218 Author chain B； PDBConstruct 4–221； UniProt 1–218 Author chain C； PDBConstruct 4–221； UniProt 1–218 Author chain D； PDBConstruct 4–221； UniProt 1–218

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	7ulj
Deposition date deposition_date	2022-04-05
Structure title title	Hsp90b N-terminal domain in complex with 42C
Keywords keywords	Hsp90 Isoform, molecular chaperone, Hsp90b, and Ligand binding, CHAPERONE; CHAPERONE
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	33.11 Å
Radius of gyration Rg (electron density) rg_electron	32.18 Å
Forward intensity I(0) i0	139413000.00
Molecular weight molecular_weight	95808.0 kDa
Excluded volume excluded_volume	120710 Å³
Envelope volume envelope_volume	155470 Å³
Hydration-shell volume shell_volume	40415 Å³
Envelope diameter envelope_diameter	122.7 Å
Shell Rg shell_rg	38.58 Å
Envelope Rg envelope_rg	32.69 Å
Shape Rg shape_rg	32.19 Å
Total Rg total_rg	32.70 Å
Total atoms total_atoms	6754
Residues n_residues	853
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	114.1 Å
Rg (real space) rg_real	33.12 Å
Rg uncertainty (real space) rg_real_error	0.93 Å
I(0) (real space) i0_real	1.3940e+08
I(0) uncertainty (real space) i0_real_error	2.4370e+06
Rg (reciprocal space) rg_reciprocal	33.12 Å
I(0) (reciprocal space) i0_reciprocal	139400000.0000
Solution quality estimate total_estimate	0.8049
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	35.7 Å
Skewness Skewness skewness	0.327
Kurtosis Kurtosis kurtosis	-0.428
Angular range angular_range	— – 0.2400 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	26880000.0000
Real-space data points n_real_points	49
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.835; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.955; Smooth: 0.000

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Heat shock protein HSP 90-beta
Molecular weight formula_weight	24669.8 kDa
Source method src_method	man
Copy count entity_count	4

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B,C,D
Atom count atom_count	7335

GSHMPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYLE

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	N,N-dimethyl-7H-purin-6-amine
Molecular weight formula_weight	163.2 kDa
Source method src_method	syn
Copy count entity_count	4

Entity 3 Entity 3 non-polymer

Description description	(4S)-2-METHYL-2,4-PENTANEDIOL
Molecular weight formula_weight	118.2 kDa
Source method src_method	syn
Copy count entity_count	4

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	4

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	581

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8. Citations (1)

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Unit-cell length a length_a	129.506 Å
Unit-cell length b length_b	129.506 Å
Unit-cell length c length_c	104.454 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	120.00 °
Molecules per unit cell Z z_pdb	24

Space group space_group	P 65
Space-group number int_tables_number	170
Crystal system crystal_system	—

Resolution resolution	1.820 Å
Low-resolution limit resolution_low	42.391 Å
R factor r_factor	0.1947
R_work r_work	0.1934
R_free r_free	0.2191

fit	/app/data/saxs_computation/ul/7ulj/7ulj.fit
pddf	/app/data/pr_computation/ul/7ulj/7ulj.pr.out
profile	/app/data/saxs_computation/ul/7ulj/7ulj.dat