4as9

The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90

Method: X-RAY DIFFRACTION D_max: 62.0 Å Quality: GOOD

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1. 蛋白身份与相关结构 Protein Identity & Related Structures

ATP-DEPENDENT MOLECULAR CHAPERONE HSP82

SACCHAROMYCES CEREVISIAE

当前结构中的状态

Assembly	聚集状态	构建体	突变与修饰	配体、离子与共同组分	实验方法与环境	结构质量
1	蛋白同源多聚体同源多聚体蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 1–220	片段：N-TERMINAL DOMAIN, RESIDUES 1-220	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结晶条件：pH 7；pH 7	分辨率 2.71 Å R-free 0.253

数据库中的同蛋白其他状态

以下每一行都是同一 UniProt 蛋白在另一个 PDB 条目中的 biological assembly， “相对当前条目”直接指出证据层面的不同；没有差异标签表示当前已读取字段一致。

其他 PDB	相对当前条目 4AS9	Assembly / 聚集状态	构建体	突变与修饰	配体、离子与非聚合物	实验方法与环境	结构质量
1A4H STRUCTURE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE IN COMPLEX WITH GELDANAMYCIN 提交 1998-01-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN	未记录	GDM GELDANAMYCIN × 2	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 2.50 Å
1AH6 STRUCTURE OF THE TETRAGONAL FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE 提交 1997-04-14	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.80 Å R-free 0.255
1AH8 STRUCTURE OF THE ORTHORHOMBIC FORM OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE 提交 1997-04-14	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN 链 B 1–220（220 aa）片段：N-TERMINAL DOMAIN	未记录	GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 2.10 Å R-free 0.255
1AM1 ATP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE 提交 1997-06-20	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–214（213 aa）片段：N-TERMINAL	未记录	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 2.00 Å
1AMW ADP BINDING SITE IN THE HSP90 MOLECULAR CHAPERONE 提交 1997-06-19	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL RESIDUES	未记录	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.85 Å
1BGQ RADICICOL BOUND TO THE ATP BINDING SITE OF THE N-TERMINAL DOMAIN OF THE YEAST HSP90 CHAPERONE 提交 1998-05-29	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN	未记录	RDC RADICICOL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 5；pH 5.0	分辨率 2.50 Å R-free 0.263
1HK7 Middle Domain of HSP90 提交 2003-03-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 273–560（288 aa）片段：MIDDLE DOMAIN, RESIDUES 273-560	未记录	CD CADMIUM ION × 5 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.50 Å R-free 0.277
1HK7 Middle Domain of HSP90 提交 2003-03-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 273–560（288 aa）片段：MIDDLE DOMAIN, RESIDUES 273-560	未记录	CD CADMIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.50 Å R-free 0.277
1US7 Complex of Hsp90 and P50 提交 2003-11-20	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.30 Å R-free 0.241
1USU The Structure of the complex between Aha1 and HSP90 提交 2003-12-01	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 273–530（258 aa）片段：MIDDLE DOMAIN, RESIDUES 273-530	未记录	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.15 Å R-free 0.268
1USV The Structure of the complex between Aha1 and HSP90 提交 2003-12-01	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 272–530（259 aa）片段：MIDDLE DOMAIN, RESIDUES 272-530	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 提交 2003-12-01	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 272–530（259 aa）片段：MIDDLE DOMAIN, RESIDUES 272-530	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 提交 2003-12-01	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 272–530（259 aa）片段：MIDDLE DOMAIN, RESIDUES 272-530	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 2.70 Å R-free 0.298
1USV The Structure of the complex between Aha1 and HSP90 提交 2003-12-01	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 G 272–530（259 aa）片段：MIDDLE DOMAIN, RESIDUES 272-530	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 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 提交 2005-06-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-terminal Domain of HSP82 (Residues 1-220)	未记录	H64 8-(6-BROMO-BENZO[1,3]DIOXOL-5-YLSULFANYL)-9-(3-ISOPROPYLAMINO-PROPYL)-ADENINE × 1	X-RAY DIFFRACTION X-ray结晶条件 MICROBATCH；pH 4.6；291 K；PEG 3350 ,Ammonium dihydrogen phosphate , pH 4.6, Micro-batch, temperature 291K	分辨率 1.90 Å R-free 0.223
1ZWH Yeast Hsp82 in complex with the novel Hsp90 inhibitor Radester amine 提交 2005-06-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-terminal Domain of HSP82 (Residues 1-220)	未记录	RDE 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.65 Å R-free 0.209
2AKP Hsp90 Delta24-N210 mutant 提交 2005-08-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 25–210（186 aa）片段：N-terminal Delta 24	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	分辨率 1.94 Å R-free 0.269
2AKP Hsp90 Delta24-N210 mutant 提交 2005-08-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 25–210（186 aa）片段：N-terminal Delta 24	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	分辨率 1.94 Å R-free 0.269
2AKP Hsp90 Delta24-N210 mutant 提交 2005-08-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 25–210（186 aa）片段：N-terminal Delta 24	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	分辨率 1.94 Å R-free 0.269
2AKP Hsp90 Delta24-N210 mutant 提交 2005-08-03	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 25–210（186 aa）片段：N-terminal Delta 24	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；20% PEG8000, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K	分辨率 1.94 Å R-free 0.269
2BRC Structure of a Hsp90 Inhibitor bound to the N-terminus of Yeast Hsp90. 提交 2005-05-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–214（214 aa）片段：N-TERMINUS, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7.00	分辨率 1.60 Å R-free 0.214
2BRE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. 提交 2005-05-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–219（219 aa）片段：N-TERMINUS, RESIDUES 1-219	未记录	KJ2 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.00	分辨率 2.00 Å R-free 0.256
2BRE STRUCTURE OF A HSP90 INHIBITOR BOUND TO THE N-TERMINUS OF YEAST HSP90. 提交 2005-05-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–219（219 aa）片段：N-TERMINUS, RESIDUES 1-219	未记录	KJ2 4-{4-[4-(3-AMINOPROPOXY)PHENYL]-1H-PYRAZOL-5-YL}-6-CHLOROBENZENE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7.00	分辨率 2.00 Å R-free 0.256
2CG9 Crystal structure of an Hsp90-Sba1 closed chaperone complex 提交 2006-03-01	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 4 PDB 声明：tetrameric	链 A 1–677（677 aa）片段：RESIDUES 1-677 链 B 1–677（677 aa）片段：RESIDUES 1-677	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 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.	分辨率 3.10 Å R-free 0.353
2CGE Crystal structure of an Hsp90-Sba1 closed chaperone complex 提交 2006-03-01	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 6 PDB 声明：hexameric	链 A 273–677（405 aa）片段：MIDDLE AND C-TERMINAL DOMAINS, RESIDUES 273-677 链 B 273–677（405 aa）片段：MIDDLE AND C-TERMINAL DOMAINS, RESIDUES 273-677 链 D 273–677（405 aa）片段：MIDDLE AND C-TERMINAL DOMAINS, RESIDUES 273-677	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 pH 7.5；pH 7.50	分辨率 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 提交 2006-03-02	构建体不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-213	未记录	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 未提供已读取条件	分辨率 2.20 Å R-free 0.208
2FXS Yeast HSP82 in complex with the novel HSP90 Inhibitor Radamide 提交 2006-02-06	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-terminal Domain, Residues (1-220)	未记录	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结晶条件 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	分辨率 2.00 Å R-free 0.226
2IWS Radicicol analogues bound to the ATP site of HSP90 提交 2006-07-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–214（214 aa）片段：N TERMINAL DOMAIN, RESIDUES 1-214	未记录	NP4 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.70 Å R-free 0.295
2IWU Analogues of radicicol bound to the ATP-binding site of Hsp90 提交 2006-07-04	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–214（214 aa）片段：N TERMINAL DOMAIN, RESIDUES 1-214	未记录	NP5 (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE × 1	X-RAY DIFFRACTION mmCIF 未提供已读取条件	分辨率 2.80 Å R-free 0.291
2IWX Analogues of radicicol bound to the ATP-binding site of Hsp90. 提交 2006-07-05	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–214（214 aa）片段：N TERMINAL DOMAIN, RESIDUES 1-214	未记录	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 未提供已读取条件	分辨率 1.50 Å R-free 0.236
2LSV The NMR high resolution structure of yeast Tah1 in complex with the Hsp90 C-terminal tail 提交 2012-05-07	构建体不同聚集状态不同配体/离子不同实验方法不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 701–709（9 aa）片段：C-terminal tail	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7.2；288 K；离子强度（mmCIF原始值）0.15；压力 ambient NMR样品组成 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样品组成 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	分辨率未提供
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 提交 2008-06-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–214（214 aa）片段：N-TERM DOMAIN, RESIDUES 1-214	未记录	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 未提供已读取条件	分辨率 1.90 Å R-free 0.226
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 提交 2008-06-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 1–214（214 aa）片段：N-TERM DOMAIN, RESIDUES 1-214	未记录	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 未提供已读取条件	分辨率 1.90 Å R-free 0.226
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 提交 2008-06-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 3 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 C 1–214（214 aa）片段：N-TERM DOMAIN, RESIDUES 1-214	未记录	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 未提供已读取条件	分辨率 1.90 Å R-free 0.226
2VW5 Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90 提交 2008-06-16	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 4 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 D 1–214（214 aa）片段：N-TERM DOMAIN, RESIDUES 1-214	未记录	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 未提供已读取条件	分辨率 1.90 Å R-free 0.226
2VWC STRUCTURE OF THE HSP90 INHIBITOR MACBECIN BOUND TO THE N-TERMINUS OF YEAST HSP90. 提交 2008-06-20	构建体不同聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–219（219 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-219	未记录	BC2 MACBECIN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 2.40 Å R-free 0.262
2WEP Yeast Hsp90 N-terminal domain LI-IV mutant with ADP 提交 2009-04-01	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	突变：YES	ADP ADENOSINE-5'-DIPHOSPHATE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 2.00 Å R-free 0.263
2WEQ Yeast Hsp90 N-terminal domain LI-IV mutant with Geldanamycin 提交 2009-04-01	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	突变：YES	GDM GELDANAMYCIN × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 2.20 Å R-free 0.243
2WER Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol 提交 2009-04-01	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	突变：YES	RDC RADICICOL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 1.60 Å R-free 0.273
2WER Yeast Hsp90 N-terminal domain LI-IV mutant with Radicicol 提交 2009-04-01	突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	突变：YES	RDC RADICICOL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 1.60 Å R-free 0.273
2XD6 Hsp90 complexed with a resorcylic acid macrolactone. 提交 2010-04-29	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 2.20 Å R-free 0.228
2XX2 Macrolactone Inhibitor bound to HSP90 N-term 提交 2010-11-08	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214 链 D 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 1.85 Å R-free 0.229
2XX2 Macrolactone Inhibitor bound to HSP90 N-term 提交 2010-11-08	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 B 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214 链 C 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 1.85 Å R-free 0.229
2XX4 Macrolactone Inhibitor bound to HSP90 N-term 提交 2010-11-08	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 2.20 Å R-free 0.277
2XX5 Macrolactone Inhibitor bound to HSP90 N-term 提交 2010-11-08	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 2.00 Å R-free 0.258
2YGA E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin 提交 2011-04-12	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINUS, RESIDUES 1-220	突变：YES	GDM GELDANAMYCIN × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 2.37 Å R-free 0.245
2YGE E88G-N92L Mutant of N-Term HSP90 complexed with Geldanamycin 提交 2011-04-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-TERMINUS, RESIDUES 1-220	突变：YES	GDM GELDANAMYCIN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 1.96 Å R-free 0.229
2YGF L89V, L93I and V136M Mutant of N-Term HSP90 complexed with Geldanamycin 提交 2011-04-14	构建体不同突变/修饰不同聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-TERMINUS, RESIDUES 1-220	突变：YES	GDM GELDANAMYCIN × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 7；pH 7	分辨率 2.00 Å R-free 0.264
3C0E Yeast Hsp82 N-terminal domain: effects of mutants 98-99 KS-AA 提交 2008-01-19	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-terminal Domain (Residues 1-220)	突变：K98A, S99A	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.90 Å R-free 0.231
3C11 Yeast Hsp82 N-terminal domain-Geldanamycin complex: effects of mutants 98-99 KS-AA 提交 2008-01-21	构建体不同突变/修饰不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-terminal Domain (Residues 1-220)	突变：K98A, S99A	GDM GELDANAMYCIN × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.60 Å R-free 0.223
3FP2 Crystal structure of Tom71 complexed with Hsp82 C-terminal fragment 提交 2009-01-03	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 Q 698–709（12 aa）	未记录	CL CHLORIDE ION × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 1.98 Å R-free 0.236
4ASA The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 提交 2012-04-30	配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	未记录	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结晶条件 pH 7；pH 7	分辨率 2.25 Å R-free 0.235
4ASB The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 提交 2012-04-30	聚集状态不同配体/离子不同结构质量不同	Assembly 1 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	未记录	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结晶条件 pH 7；pH 7	分辨率 3.08 Å R-free 0.267
4ASF The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 提交 2012-05-01	配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	未记录	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结晶条件 pH 7；pH 7	分辨率 2.60 Å R-free 0.292
4ASG The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 提交 2012-05-01	配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–220（220 aa）片段：N-TERMINAL DOMAIN, RESIDUES 1-220	未记录	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结晶条件 pH 7；pH 7	分辨率 2.20 Å R-free 0.241
4CE1 Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. 提交 2013-11-08	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINUS, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 2.01 Å R-free 0.266
4CE2 Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. 提交 2013-11-08	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINUS, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 2.38 Å R-free 0.239
4CE3 Hsp90 N-terminal domain bound to macrolactam analogues of radicicol. 提交 2013-11-08	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 1–214（214 aa）片段：N-TERMINUS, RESIDUES 1-214	未记录	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结晶条件 pH 7；pH 7	分辨率 2.31 Å R-free 0.238
8OXU Crystal Structure of the Hsp90-LA1011 Complex 提交 2023-05-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 439–679（241 aa）链 B 439–679（241 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；287 K；MES pH 7.5, Magnesium chloride hexahydrate, PEG Smear Medium, 2propanol	分辨率 2.94 Å R-free 0.306
8OXU Crystal Structure of the Hsp90-LA1011 Complex 提交 2023-05-02	构建体不同突变/修饰不同配体/离子不同实验环境不同结构质量不同	Assembly 2 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 C 439–679（241 aa）链 D 439–679（241 aa）	未记录	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结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 7.5；287 K；MES pH 7.5, Magnesium chloride hexahydrate, PEG Smear Medium, 2propanol	分辨率 2.94 Å R-free 0.306
9Q8O Crystal structure of Hsp82-MD in complex with the CS domain of Sgt1 提交 2025-02-25	构建体不同聚集状态不同配体/离子不同实验环境不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 273–529（257 aa）	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 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	分辨率 2.10 Å R-free 0.246

共 47 个其他 PDB 条目、61 个 assembly。打开独立比较页并筛选聚集状态

查看构建体与数据证据

UniProt名称	HSP82_YEAST
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 1–220； UniProt 1–220

页面优先展示蛋白身份、当前 assembly、共同组分、聚集状态和跨 PDB 结构链接。链映射与序列区间收在“数据证据”中；数据库内部编号、导入时间和 assembly 操作表达式仅用于维护，因此不在读者页面展示。

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

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

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2. 结构基本信息 2. Structure Basics

条目编号 entry_id	4as9
沉积日期 deposition_date	2012-04-30
结构标题 title	The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90
关键词 keywords	CHAPERONE, INHIBITIOR, ANSAMYCIN; CHAPERONE
实验方法 method	X-RAY DIFFRACTION

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3. SAXS 参数 (CRYSOL 理论计算) 3. SAXS Parameters (CRYSOL)

回转半径 Rg (Guinier) rg_guinier	18.29 Å
回转半径 Rg (电子) rg_electron	16.92 Å
零角强度 I(0) i0	10231800.00
分子量 molecular_weight	24556.0 kDa
排除体积 excluded_volume	31094 Å³
包络体积 envelope_volume	35303 Å³
水化壳体积 shell_volume	17319 Å³
包络直径 envelope_diameter	62.4 Å
壳层 Rg shell_rg	23.44 Å
包络 Rg envelope_rg	17.43 Å
形状 Rg shape_rg	16.91 Å
总 Rg total_rg	18.01 Å
总原子数 total_atoms	1731
残基数 n_residues	214
球谐函数阶数 n_harmonics	20
q 范围 q_range	— – 0.5000 Å⁻¹
数据点数 n_points	101
壳层类型 shell_type	directional
溶剂电子密度 solvent_density	0.3340 e/Å³
壳层衬度 contrast_shell	0.0300 e/Å³
CRYSOL 版本 crysol_version	4.1.3

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4. P(r) 距离分布 (GNOM 反演) 4. P(r) Analysis (GNOM)

最大尺寸 Dmax dmax	62.0 Å
Rg (实空间) rg_real	18.18 Å
Rg 误差 (实空间) rg_real_error	0.37 Å
I(0) (实空间) i0_real	1.0230e+07
I(0) 误差 (实空间) i0_real_error	1.2420e+05
Rg (倒空间) rg_reciprocal	18.20 Å
I(0) (倒空间) i0_reciprocal	10230000.0000
解质量估计 total_estimate	0.8674
解质量评级 solution_quality	GOOD a GOOD solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	23.4 Å
偏度 Skewness skewness	0.170
峰度 Kurtosis kurtosis	-0.302
角度范围 angular_range	— – 0.4350 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	2470000.0000
实空间数据点数 n_real_points	75
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.764; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.981

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5. 晶体学与实验 5. Crystallography & Experiment

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6. 实体与聚合物信息 Entities & Polymers (3)

实体 1 Entity 1 polymer

描述 description	ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
分子量 formula_weight	24873.4 kDa
来源方法 src_method	man
拷贝数 entity_count	1

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A
原子数 atom_count	1796

MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVEKEVPIP

来源 Source

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

实体 2 Entity 2 non-polymer

描述 description	;[(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 ;
分子量 formula_weight	574.7 kDa
来源方法 src_method	syn
拷贝数 entity_count	1

实体 3 Entity 3 water

描述 description	water
分子量 formula_weight	18.0 kDa
来源方法 src_method	nat
拷贝数 entity_count	62

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7. 折叠分类 (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

结构域编号 domain_id	d4as9a_
类 Class class	d — Alpha and beta proteins (a+b)
折叠类型 Fold fold	d.122 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
超家族 Superfamily superfamily	d.122.1 — ATPase domain of HSP90 chaperone/DNA topoisomerase II/histidine kinase
家族 Family family	d.122.1.1 — Heat shock protein 90, HSP90, N-terminal domain

CATH v4.4 (1 domains)

结构域编号 domain_id	4as9A00
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	565 — Heat Shock Protein 90
同源超家族 H-superfamily homologous superfamily	10 — Histidine kinase-like ATPase, C-terminal domain

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8. 引用文献 (1)

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晶胞边长 a length_a	74.560 Å
晶胞边长 b length_b	74.560 Å
晶胞边长 c length_c	110.980 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.00 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

空间群 space_group	P 43 2 2
空间群编号 int_tables_number	95
晶系 crystal_system	—

分辨率 resolution	2.710 Å
最低分辨率 resolution_low	61.890 Å
R 因子 r_factor	0.1768
R_work r_work	0.1731
R_free r_free	0.2525

fit	/app/data/saxs_computation/as/4as9/4as9.fit
pddf	/app/data/pr_computation/as/4as9/4as9.pr.out
profile	/app/data/saxs_computation/as/4as9/4as9.dat