1usu

The Structure of the complex between Aha1 and HSP90

Method: X-RAY DIFFRACTION D_max: 77.7 Å Quality: EXCELLENT

▼

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

HEAT SHOCK PROTEIN HSP82

SACCHAROMYCES CEREVISIAE

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 273–530	Fragment：MIDDLE DOMAIN, RESIDUES 273-530	AHA1 × 1 （Q12449） GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.15 Å R-free 0.268

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 1USU	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1A4H STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN COMPLEX WITH GELDANAMYCIN Deposited 1998-01-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN	Not recorded	GDM GELDANAMYCIN × 2	X-RAY DIFFRACTION X-ray crystallization conditions under oil；pH 5；THE PROTEIN/GELDANAMYCIN COMPLEX WAS CRYSTALLISED UNDER OIL IN TERASAKI PLATES. THE DROPS CONTAINED 27MG/ML PROTEIN, 9.75% PEGME 550, 65MM AMMONIUM SULFATE, 25% GLYCEROL AND 32.5MM SODIUM SUCCINATE AT PH 5.0, under oil	Resolution 2.50 Å
1AH6 STRUCTURE OF THE TETRAGONAL FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE Deposited 1997-04-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions under oil；pH 5；THE PROTEIN WAS CRYSTALLISED UNDER OIL IN TERASAKI PLATES. THE DROPS CONTAINED 27MG/ML PROTEIN, 9.75% PEGME 550, 65MM AMMONIUM SULFATE, 25% GLYCEROL AND 32.5 MM NASUCCINATE AT PH 5.0, under oil	Resolution 1.80 Å R-free 0.255
1AH8 STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE Deposited 1997-04-14	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN Chain B 1–220（220 aa） Fragment：N-TERMINAL DOMAIN	Not recorded	GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions under oil；pH 5；THE PROTEIN WAS CRYSTALLISED UNDER OIL IN TERASAKI PLATES. THE DROPS CONTAINED 20.5MG ML PROTEIN, 9% PEGME 550, 60MM CALCIUM CHLORIDE, 25% GLYCEROL AND 30MM SODIUM ACETATE PH 5.0, under oil	Resolution 2.10 Å R-free 0.255
1AM1 ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE Deposited 1997-06-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 2–214（213 aa） Fragment：N-TERMINAL	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions under oil；pH 5；PROTEIN WAS CRYSTALLIZED UNDER OIL IN TERASAKI PLATES. THE DROPS CONTAINED 27MG/ML PROTEIN, 9.75%(W/V) PEGME 550, 65MM AMMONIUM SULFATE, 32.5MM SODIUM SUCCINATE PH5.0, 5MM ATP AND 5MM MAGNESIUM CHLORIDE., under oil	Resolution 2.00 Å
1AMW ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE Deposited 1997-06-19	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL RESIDUES	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions under oil；pH 5；PROTEIN WAS CRYSTALLIZED UNDER OIL IN TERASAKI PLATES. THE DROPS CONTAINED 27MG/ML PROTEIN, 9.75%(W/V) PEGME 550, 65MM AMMONIUM SULFATE, 32.5MM SODIUM SUCCINATE PH5.0, 5MM ADP AND 5MM MAGNESIUM CHLORIDE., under oil	Resolution 1.85 Å
1BGQ RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE Deposited 1998-05-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN	Not recorded	RDC RADICICOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 5；pH 5.0	Resolution 2.50 Å R-free 0.263
1HK7 Middle Domain of HSP90 Deposited 2003-03-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 273–560（288 aa） Fragment：MIDDLE DOMAIN, RESIDUES 273-560	Not recorded	CD CADMIUM ION × 5 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；CRYSTALS GROWN USING MICROBATCH METHOD BY MIXING 1UL OF 24MG/ML,PROTEIN IN BUFFER (20MM TRISHCL),PH 7.5, 1MM EDTA, 0.5MM DTT) WITH 1UL OF 11MM CDSO4, 20MM MGCL2, 80MM TRIS HCL, PH 7.5 AND 5% GLYCEROL.	Resolution 2.50 Å R-free 0.277
1HK7 Middle Domain of HSP90 Deposited 2003-03-06	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 273–560（288 aa） Fragment：MIDDLE DOMAIN, RESIDUES 273-560	Not recorded	CD CADMIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；CRYSTALS GROWN USING MICROBATCH METHOD BY MIXING 1UL OF 24MG/ML,PROTEIN IN BUFFER (20MM TRISHCL),PH 7.5, 1MM EDTA, 0.5MM DTT) WITH 1UL OF 11MM CDSO4, 20MM MGCL2, 80MM TRIS HCL, PH 7.5 AND 5% GLYCEROL.	Resolution 2.50 Å R-free 0.277
1US7 Complex of Hsp90 and P50 Deposited 2003-11-20	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；CRYSTALS OF THE COMPLEX WERE GROWN FROM A MIXTURE OF N-HSP90 AND C-P50 AT A FINAL CONCENTRATION OF 0.5MM AND 0.4MM RESPECTIVELY, IN A SOLUTION CONTAINING 12% POLYETHYLENE GLYCOL 4000, 16% ISOPROPANOL AND 100MM SODIUM CITRATE, PH 6.0. CRYSTAL DROPS WERE SET UP USING THE HANGING-DROP VAPOUR DIFFUSION METHOD, INITIALLY AT 4 DEGREES C FOR 48 HOURS AND THEN TRANSFERRED TO 14 DEGREES C.	Resolution 2.30 Å R-free 0.241
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different construct Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 272–530（259 aa） Fragment：MIDDLE DOMAIN, RESIDUES 272-530	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different construct Different ligand/ion Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 272–530（259 aa） Fragment：MIDDLE DOMAIN, RESIDUES 272-530	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different construct Different ligand/ion Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain E 272–530（259 aa） Fragment：MIDDLE DOMAIN, RESIDUES 272-530	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different construct Different ligand/ion Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain G 272–530（259 aa） Fragment：MIDDLE DOMAIN, RESIDUES 272-530	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1ZW9 Yeast HSP82 in complex with the Novel HSP90 Inhibitor 8-(6-Bromo-benzo[1,3]dioxol-5-ylsulfanyl)-9-(3-isopropylamino-propyl)-adenine Deposited 2005-06-03	Different construct Different oligomeric state 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 of HSP82 (Residues 1-220)	Not recorded	H64 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 4.6；291 K；PEG 3350 ,Ammonium dihydrogen phosphate , pH 4.6, Micro-batch, temperature 291K	Resolution 1.90 Å R-free 0.223
1ZWH Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine Deposited 2005-06-03	Different construct Different oligomeric state 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 of HSP82 (Residues 1-220)	Not recorded	RDE 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 5；291 K；CaCl2, Glycerol, PEG MME 550, Na ACetate or Na Succinate, pH 5.0, Hanging Drop Vapor Diffusion, temperature 291K, Micro-batch	Resolution 1.65 Å R-free 0.209
2AKP Hsp90 Delta24-N210 mutant Deposited 2005-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 25–210（186 aa） Fragment：N-terminal Delta 24	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.94 Å R-free 0.269
2AKP Hsp90 Delta24-N210 mutant Deposited 2005-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 25–210（186 aa） Fragment：N-terminal Delta 24	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.94 Å R-free 0.269
2AKP Hsp90 Delta24-N210 mutant Deposited 2005-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 25–210（186 aa） Fragment：N-terminal Delta 24	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.94 Å R-free 0.269
2AKP Hsp90 Delta24-N210 mutant Deposited 2005-08-03	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 25–210（186 aa） Fragment：N-terminal Delta 24	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.94 Å R-free 0.269
2BRC Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90. Deposited 2005-05-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–214（214 aa） Fragment：N-TERMINUS, RESIDUES 1-214	Not recorded	CT5 4-[4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-3-METHYL-1H-PYRAZOL-5-YL]-6-ETHYLBENZENE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.00	Resolution 1.60 Å R-free 0.214
2BRE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. Deposited 2005-05-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–219（219 aa） Fragment：N-TERMINUS, RESIDUES 1-219	Not recorded	KJ2 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.00	Resolution 2.00 Å R-free 0.256
2BRE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. Deposited 2005-05-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–219（219 aa） Fragment：N-TERMINUS, RESIDUES 1-219	Not recorded	KJ2 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7.00	Resolution 2.00 Å R-free 0.256
2CG9 Crystal structure of an Hsp90-Sba1 closed chaperone complex Deposited 2006-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain A 1–677（677 aa） Fragment：RESIDUES 1-677 Chain B 1–677（677 aa） Fragment：RESIDUES 1-677	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；PROTEIN WAS CRYSTALLISED BY THE HANGING DROP METHOD WITH 1:1 DROPS. PROTEIN AT 15MG/ML MIXED WITH 100MM HEPES PH 7.5, 20% PEG4K, 10% ISOPROPANOL, 10% GLYCEROL.	Resolution 3.10 Å R-free 0.353
2CGE Crystal structure of an Hsp90-Sba1 closed chaperone complex Deposited 2006-03-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric	Chain A 273–677（405 aa） Fragment：MIDDLE AND C-TERMINAL DOMAINS, RESIDUES 273-677 Chain B 273–677（405 aa） Fragment：MIDDLE AND C-TERMINAL DOMAINS, RESIDUES 273-677 Chain D 273–677（405 aa） Fragment：MIDDLE AND C-TERMINAL DOMAINS, RESIDUES 273-677	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 7.5；pH 7.50	Resolution 3.00 Å R-free 0.288
2CGF A RADICICOL ANALOGUE BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE Deposited 2006-03-02	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-213	Not recorded	P2N (5Z)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,11(12H)-DIONE × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å R-free 0.208
2FXS Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide Deposited 2006-02-06	Different construct Different oligomeric state 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	RDA METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray crystallization conditions Microbatch under mineral oil；pH 5；291 K；8-9% PEG MME 550, 25% glycerol, 90 mM CaCl2 4 times as much protein as precipitant solution 1uL ligand (in DMSO) per 50 protein for final concentration ~10mM , pH 5.0, Microbatch under mineral oil, temperature 291K	Resolution 2.00 Å R-free 0.226
2IWS Radicicol analogues bound to the ATP site of HSP90 Deposited 2006-07-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–214（214 aa） Fragment：N TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	NP4 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.70 Å R-free 0.295
2IWU Analogues of radicicol bound to the ATP-binding site of Hsp90 Deposited 2006-07-04	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–214（214 aa） Fragment：N TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	NP5 (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.80 Å R-free 0.291
2IWX Analogues of radicicol bound to the ATP-binding site of Hsp90. Deposited 2006-07-05	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–214（214 aa） Fragment：N TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	M1S (5E)-14-CHLORO-15,17-DIHYDROXY-4,7,8,9,10,11-HEXAHYDRO-2-BENZOXACYCLOPENTADECINE-1,12(3H,13H)-DIONE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.50 Å R-free 0.236
2LSV The NMR high resolution structure of yeast Tah1 in complex with the Hsp90 C-terminal tail Deposited 2012-05-07	Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 701–709（9 aa） Fragment：C-terminal tail	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7.2；288 K；Ionic strength (raw mmCIF value) 0.15；Pressure ambient NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein_1, 1 mM protein_2, 10 mM sodium phosphate, 150 mM sodium chloride, 95% H2O/5% D2O \| 95% H2O/5% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein_1, 1 mM protein_2, 10 mM sodium phosphate, 150 mM sodium chloride, 100% D2O \| 100% D2O	Resolution not provided
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 Deposited 2008-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–214（214 aa） Fragment：N-TERM DOMAIN, RESIDUES 1-214	Not recorded	BC6 (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate × 1 SO4 SULFATE ION × 3	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å R-free 0.226
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 Deposited 2008-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–214（214 aa） Fragment：N-TERM DOMAIN, RESIDUES 1-214	Not recorded	BC6 (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å R-free 0.226
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 Deposited 2008-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain C 1–214（214 aa） Fragment：N-TERM DOMAIN, RESIDUES 1-214	Not recorded	BC6 (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å R-free 0.226
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 Deposited 2008-06-16	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain D 1–214（214 aa） Fragment：N-TERM DOMAIN, RESIDUES 1-214	Not recorded	BC6 (4E,8S,9R,10E,12S,13R,14S,16R)-13,20-dihydroxy-14-methoxy-4,8,10,12,16-pentamethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamate × 1 SO4 SULFATE ION × 2	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.90 Å R-free 0.226
2VWC STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90. Deposited 2008-06-20	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–219（219 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-219	Not recorded	BC2 MACBECIN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.40 Å R-free 0.262
2WEP Yeast Hsp90 N-terminal domain LI-IV mutant with ADP Deposited 2009-04-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Mutation：YES	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.00 Å R-free 0.263
2WEQ Yeast Hsp90 N-terminal domain LI-IV mutant with Geldanamycin Deposited 2009-04-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Mutation：YES	GDM GELDANAMYCIN × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.20 Å R-free 0.243
2WER Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol Deposited 2009-04-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Mutation：YES	RDC RADICICOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 1.60 Å R-free 0.273
2WER Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol Deposited 2009-04-01	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Mutation：YES	RDC RADICICOL × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 1.60 Å R-free 0.273
2XD6 Hsp90 complexed with a resorcylic acid macrolactone. Deposited 2010-04-29	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	XD6 (5Z)-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-3,4,7,8,9,10,11,12-OCTAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-6-CARBALDEHYDE × 2 GOL GLYCEROL × 8	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.20 Å R-free 0.228
2XX2 Macrolactone Inhibitor bound to HSP90 N-term Deposited 2010-11-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214 Chain D 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	13C (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 1.85 Å R-free 0.229
2XX2 Macrolactone Inhibitor bound to HSP90 N-term Deposited 2010-11-08	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214 Chain C 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	13C (5E)-13-CHLORO-14,16-DIHYDROXY-3,4,7,8,9,10-HEXAHYDRO-2-BENZAZACYCLOTETRADECINE-1,11(2H,12H)-DIONE × 2 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 1.85 Å R-free 0.229
2XX4 Macrolactone Inhibitor bound to HSP90 N-term Deposited 2010-11-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	13I (E)-ETHYL 13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDROBENZO[C][1]AZACYCLOTETRADECINE-10-CARBOXYLATE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.20 Å R-free 0.277
2XX5 Macrolactone Inhibitor bound to HSP90 N-term Deposited 2010-11-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-214	Not recorded	13N (5E,10R)-N-BENZYL-13-CHLORO-14,16-DIHYDROXY-1,11-DIOXO-1,2,3,4,7,8,9,10,11,12-DECAHYDRO-2-BENZAZACYCLOTETRADECINE-10-CARBOXAMIDE × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.00 Å R-free 0.258
2YGA E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin Deposited 2011-04-12	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINUS, RESIDUES 1-220	Mutation：YES	GDM GELDANAMYCIN × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.37 Å R-free 0.245
2YGE E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin Deposited 2011-04-14	Different construct Different mutation/modification Different oligomeric state 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-TERMINUS, RESIDUES 1-220	Mutation：YES	GDM GELDANAMYCIN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 1.96 Å R-free 0.229
2YGF L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin Deposited 2011-04-14	Different construct Different mutation/modification Different oligomeric state 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-TERMINUS, RESIDUES 1-220	Mutation：YES	GDM GELDANAMYCIN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.00 Å R-free 0.264
3C0E Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA Deposited 2008-01-19	Different construct Different mutation/modification Different oligomeric state 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)	Mutation：K98A, S99A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；100mM Na Succinate, 45-75 mM CaCl2, 10-15% PEG 550MME, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.90 Å R-free 0.231
3C11 Yeast Hsp82 N-terminal domain-Geldanamycin complex: effects of mutants 98-99 KS-AA Deposited 2008-01-21	Different construct Different mutation/modification Different oligomeric state 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)	Mutation：K98A, S99A	GDM GELDANAMYCIN × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；291 K；100mM Na Succinate, 45-75 mM CaCl2, 10-15% PEG 550MME, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K	Resolution 1.60 Å R-free 0.223
3FP2 Crystal structure of Tom71 complexed with Hsp82 C-terminal fragment Deposited 2009-01-03	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain Q 698–709（12 aa）	Not recorded	CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；298 K；PEG6K, Ethylene Glyco 5%, NaCl 0.15M, Tris 10mM, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K	Resolution 1.98 Å R-free 0.236
4AS9 The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 Deposited 2012-04-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Not recorded	4QS [(3R,5S,6R,7R,10R,11S,12E)-5,11,21-trimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.71 Å R-free 0.253
4ASA The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 Deposited 2012-04-30	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Not recorded	59C [(3R,5S,6R,7R,12E)-5,11-dimethoxy-3,7,9,15,19-pentamethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-21-(prop-2-enylamino)-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate × 2 CL CHLORIDE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.25 Å R-free 0.235
4ASB The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 Deposited 2012-04-30	Different construct Different oligomeric state 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	8TO (4E,6E,8S,9R,10E,12R,13R,14S,16R)-19-{[2-(dimethylamino)ethyl]amino}-13-hydroxy-8,14-dimethoxy-4,10,12,16,21-pentamethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 3.08 Å R-free 0.267
4ASF The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 Deposited 2012-05-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Not recorded	62U (8S,9R,13R,14S,16R)-21-(furan-2-yl)-13-hydroxy-8,14,19-trimethoxy-16-methyl-4,10,12-trimethylidene-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),18-dien-9-yl carbamate × 2 NI NICKEL (II) ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.60 Å R-free 0.292
4ASG The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 Deposited 2012-05-01	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–220（220 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-220	Not recorded	814 [(3R,5S,6R,7R,11S,12Z,14E)-5,11,21-trimethoxy-3,7,9,15-tetramethyl-6-oxidanyl-16,20,22-tris(oxidanylidene)-19-phenyl-17-azabicyclo[16.3.1]docosa-1(21),8,12,14,18-pentaen-10-yl] carbamate × 2 NI NICKEL (II) ION × 6	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.20 Å R-free 0.241
4CE1 Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. Deposited 2013-11-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINUS, RESIDUES 1-214	Not recorded	7FK 15-Chloro-16,18-dihydroxy-2-methyl-3,4,7,8,9,10,11,12-octahydrobenz[c][1]azacyclohexadecine-1,13(2H,14H)-dione × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.01 Å R-free 0.266
4CE2 Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. Deposited 2013-11-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINUS, RESIDUES 1-214	Not recorded	BO5 (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.38 Å R-free 0.239
4CE3 Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. Deposited 2013-11-08	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–214（214 aa） Fragment：N-TERMINUS, RESIDUES 1-214	Not recorded	L4V 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione × 2	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；pH 7	Resolution 2.31 Å R-free 0.238
8OXU Crystal Structure of the Hsp90-LA1011 Complex Deposited 2023-05-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 439–679（241 aa） Chain B 439–679（241 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；287 K；MES pH 7.5, Magnesium chloride hexahydrate, PEG Smear Medium, 2propanol	Resolution 2.94 Å R-free 0.306
8OXU Crystal Structure of the Hsp90-LA1011 Complex Deposited 2023-05-02	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 439–679（241 aa） Chain D 439–679（241 aa）	Not recorded	W5R dimethyl 2,6-bis[2-(dimethylamino)ethyl]-1-methyl-4-[4-(trifluoromethyl)phenyl]-4~{H}-pyridine-3,5-dicarboxylate × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；287 K；MES pH 7.5, Magnesium chloride hexahydrate, PEG Smear Medium, 2propanol	Resolution 2.94 Å R-free 0.306
9Q8O Crystal structure of Hsp82-MD in complex with the CS domain of Sgt1 Deposited 2025-02-25	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 273–529（257 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；0.04 M Magnesium chloride hexahydrate, 0.05 M Sodium cacodylate trihydrate, 5% v/v (+/-)-2-Methyl-2,4-pentanediol	Resolution 2.10 Å R-free 0.246

47 other PDB entries and 61 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	HS82_YEAST
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 3–260； UniProt 273–530

AHA1

SACCHAROMYCES CEREVISIAE

UniProt Q12449

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 1–156	Fragment：N-TERMINAL DOMAIN, RESIDUES 1-156	HEAT SHOCK PROTEIN HSP82 × 1 （P02829） GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.15 Å R-free 0.268

Other States of the Same Protein in the Database

Other PDB	Difference from Current Entry 1USU	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different ligand/ion Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–156（156 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-156	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different ligand/ion Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–156（156 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-156	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different ligand/ion Different structure-quality metrics	Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain F 1–156（156 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-156	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 Deposited 2003-12-01	Different ligand/ion Different structure-quality metrics	Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain H 1–156（156 aa） Fragment：N-TERMINAL DOMAIN, RESIDUES 1-156	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 6.5；292 K；CRYSTALS GREW FROM A MIXTURE OF MIDDLE DOMAIN HSP90 AND N- TERMINAL AHA1 AT A FINAL CONCENTRATION OF 110 UM AND 165 UM, RESPECTIVELY, IN A SOLUTION CONTAINING 90 MM AMMONIUM SULPHATE, 13.5% (W/V) PEG8K AND 45 MM SODIUM CACODYLATE PH 6.5 IN UNDER-OIL MICROBATCH EXPERIMENTS AT 19C.	Resolution 2.70 Å R-free 0.298
6XLB Apo full-length Hsc82 in complex with Aha1 Deposited 2020-06-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C1 1–350（350 aa） Chain D1 1–350（350 aa）	Not recorded	No recorded non-water small molecule	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.80 Å
6XLD Full-length Hsc82 in complex with Aha1 CTD in the presence of AMPPNP Deposited 2020-06-28	Different construct 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 C 1–350（350 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.66 Å
6XLE Full-length Hsc82 in complex with two Aha1 CTD in the presence of AMP-PNP Deposited 2020-06-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–350（350 aa） Chain D 1–350（350 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 K POTASSIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.74 Å
6XLF Full-length Hsc82 in complex with Aha1 in the presence of AMP-PNP Deposited 2020-06-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–350（350 aa） Chain D 1–350（350 aa）	Not recorded	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 K POTASSIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 3.15 Å
6XLG Full-length Hsc82 in complex with two Aha1 CTD in the presence of ATPgammaS Deposited 2020-06-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–350（350 aa） Chain D 1–350（350 aa）	Not recorded	AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 2 MG MAGNESIUM ION × 2 K POTASSIUM ION × 2	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.71 Å
6XLH Asymmetric hydrolysis state of Hsc82 in complex with Aha1 bound with ADP and ATPgammaS Deposited 2020-06-28	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric	Chain C 1–350（350 aa） Chain D 1–350（350 aa）	Not recorded	AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 K POTASSIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	ELECTRON MICROSCOPY cryo-EM buffer pH 7.5 cryo-EM vitrification conditions Cryogen ETHANE	Resolution 2.83 Å

7 other PDB entries and 10 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	Q12449
Isoform	—
PDB entities	2
Chains and sequence ranges	Author chain B； PDBConstruct 15–170； UniProt 1–156

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	1usu
Deposition date deposition_date	2003-12-01
Structure title title	The Structure of the complex between Aha1 and HSP90
Keywords keywords	CHAPERONE-COMPLEX, CHAPERONE, ACTIVATOR, HSP90; CHAPERONE
Experimental Method method	X-RAY DIFFRACTION

▼

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

Radius of gyration Rg (Guinier) rg_guinier	24.46 Å
Radius of gyration Rg (electron density) rg_electron	23.34 Å
Forward intensity I(0) i0	29271700.00
Molecular weight molecular_weight	43453.0 kDa
Excluded volume excluded_volume	55207 Å³
Envelope volume envelope_volume	67786 Å³
Hydration-shell volume shell_volume	24260 Å³
Envelope diameter envelope_diameter	82.5 Å
Shell Rg shell_rg	30.19 Å
Envelope Rg envelope_rg	23.37 Å
Shape Rg shape_rg	23.33 Å
Total Rg total_rg	24.25 Å
Total atoms total_atoms	3074
Residues n_residues	378
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	77.7 Å
Rg (real space) rg_real	24.36 Å
Rg uncertainty (real space) rg_real_error	0.49 Å
I(0) (real space) i0_real	2.9270e+07
I(0) uncertainty (real space) i0_real_error	3.6970e+05
Rg (reciprocal space) rg_reciprocal	24.39 Å
I(0) (reciprocal space) i0_reciprocal	29270000.0000
Solution quality estimate total_estimate	0.9069
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	28.4 Å
Skewness Skewness skewness	0.192
Kurtosis Kurtosis kurtosis	-0.573
Angular range angular_range	— – 0.3250 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	8693000.0000
Real-space data points n_real_points	64
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.931; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.996

▶

5. Crystallography and Experiment 5. Crystallography & Experiment

▶

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Description description	HEAT SHOCK PROTEIN HSP82
Molecular weight formula_weight	30486.7 kDa
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	3301

GPTKPLWTRNPSDITQEEYNAFYKSISNDWEDPLYVKHFSVEGQLEFRAILFIPKRAPFDLFESKKKKNNIKLYVRRVFITDEAEDLIPEWLSFVKGVVDSEDLPLNLSREMLQQNKIMKVIRKNIVKKLIEAFNEIAEDSEQFEKFYSAFSKNIKLGVHEDTQNRAALAKLLRYNSTKSVDELTSLTDYVTRMPEHQKNIYYITGESLKSVEKSPFLDALKAKNFEVLFLTDPIDEYAFTQLKEFEGKTLVDITKDFEL

来源 Source

来源生物 organism	SACCHAROMYCES CEREVISIAE
通用名 common_name	;BAKER'S YEAST ;
NCBI Class编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	ESCHERICHIA COLI

Entity 2 Entity 2 polymer

Description description	AHA1
Molecular weight formula_weight	19118.7 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	B

MRGSHHHHHHGMASMVVNNPNNWHWVDKNCIGWAKEYFKQKIVGVEAGSVKDKKYAKIKSVSSIEGDCEVNQRKGKVISLFDLKITVLIEGHVDSKDGSALPFEGSINVPEVAFDSEASSYQFDISIFKETSELSEAKPLIRSELLPKLRQIFQQFGKDLLATHGNDIQV

来源 Source

来源生物 organism	SACCHAROMYCES CEREVISIAE
通用名 common_name	;BAKER'S YEAST ;
NCBI Class编号 ncbi_taxonomy_id	4932
宿主生物 host_organism	ESCHERICHIA COLI

Entity 3 Entity 3 non-polymer

Description description	GLYCEROL
Molecular weight formula_weight	92.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	227

▼

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

Domain ID domain_id	d1usua_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.14 — Ribosomal protein S5 domain 2-like
Superfamily Superfamily superfamily	d.14.1 — Ribosomal protein S5 domain 2-like
Family Family family	d.14.1.8 — Hsp90 middle domain

Domain ID domain_id	d1usub_
Class class	d — Alpha and beta proteins (a+b)
Fold Fold fold	d.83 — Aha1/BPI domain-like
Superfamily Superfamily superfamily	d.83.2 — Activator of Hsp90 ATPase, Aha1
Family Family family	d.83.2.1 — Activator of Hsp90 ATPase, Aha1

CATH v4.4 (3 domains)

Domain ID domain_id	1usuA01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	230 — Ribosomal Protein S5; domain 2
Homologous superfamily homologous superfamily	80 —

Domain ID domain_id	1usuA02
Class class	3 — Alpha Beta
Architecture architecture	40 — 3-Layer(aba) Sandwich
Topology topology	50 — Rossmann fold
Homologous superfamily homologous superfamily	11260 —

Domain ID domain_id	1usuB00
Class class	3 — Alpha Beta
Architecture architecture	15 — Super Roll
Topology topology	10 — Bactericidal permeability-increasing protein; domain 1
Homologous superfamily homologous superfamily	20 — Activator of Hsp90 ATPase Aha1, N-terminal domain

▶

8. Citations (1)

▶

Unit-cell length a length_a	58.940 Å
Unit-cell length b length_b	37.920 Å
Unit-cell length c length_c	111.260 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	98.40 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	—

Resolution resolution	2.150 Å
Low-resolution limit resolution_low	31.790 Å
R factor r_factor	0.2130
R_work r_work	0.2130
R_free r_free	0.2680

fit	/app/data/saxs_computation/us/1usu/1usu.fit
pddf	/app/data/pr_computation/us/1usu/1usu.pr.out
profile	/app/data/saxs_computation/us/1usu/1usu.dat

The Structure of the complex between Aha1 and HSP90

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

HEAT SHOCK PROTEIN HSP82

State in the Current Structure

Other States of the Same Protein in the Database

AHA1

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (4)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

来源 Source

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 water

7. Fold Classification (SCOP + CATH) 5 domains

SCOP 2.08 (2 domains)

CATH v4.4 (3 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)