2vw5

Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90

Method: X-RAY DIFFRACTION D_max: 97.5 Å Quality: REASONABLE

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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	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 A； UniProt 1–214	片段：N-TERM DOMAIN, RESIDUES 1-214	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 未提供已读取环境条件	分辨率 1.90 Å R-free 0.226
2	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 B； UniProt 1–214	片段：N-TERM DOMAIN, RESIDUES 1-214	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 未提供已读取环境条件	分辨率 1.90 Å R-free 0.226
3	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 C； UniProt 1–214	片段：N-TERM DOMAIN, RESIDUES 1-214	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 未提供已读取环境条件	分辨率 1.90 Å R-free 0.226
4	蛋白单体单体蛋白 × 1 PDB 声明：monomeric（1）与蛋白拷贝数一致	链 D； UniProt 1–214	片段：N-TERM DOMAIN, RESIDUES 1-214	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 未提供已读取环境条件	分辨率 1.90 Å R-free 0.226

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 2VW5	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 × 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 × 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 × 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 × 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 × 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 × 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	构建体不同聚集状态不同配体/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 1-213	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 1–214（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 1–214（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 1–214（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
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-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	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 × 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	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 × 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	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 × 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	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 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 × 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 × 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 × 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 × 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 × 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-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-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
4AS9 The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 提交 2012-04-30	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	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
4ASA The structure of modified benzoquinone ansamycins bound to yeast N- terminal Hsp90 提交 2012-04-30	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	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	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	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 × 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 × 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 × 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 × 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、58 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 1–214； UniProt 1–214 作者链 B； PDB构建体 1–214； UniProt 1–214 作者链 C； PDB构建体 1–214； UniProt 1–214 作者链 D； PDB构建体 1–214； UniProt 1–214

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	2vw5
沉积日期 deposition_date	2008-06-16
结构标题 title	Structure Of The Hsp90 Inhibitor 7-O-carbamoylpremacbecin Bound To The N- Terminus Of Yeast Hsp90
关键词 keywords	ATPASE, CYTOPLASM, INHIBITOR, CHAPERONE, ATP-BINDING, STRESS RESPONSE, NUCLEOTIDE-BINDING; 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	31.20 Å
回转半径 Rg (电子) rg_electron	30.14 Å
零角强度 I(0) i0	149793000.00
分子量 molecular_weight	99497.0 kDa
排除体积 excluded_volume	125620 Å³
包络体积 envelope_volume	159140 Å³
水化壳体积 shell_volume	42963 Å³
包络直径 envelope_diameter	110.9 Å
壳层 Rg shell_rg	38.02 Å
包络 Rg envelope_rg	30.52 Å
形状 Rg shape_rg	30.12 Å
总 Rg total_rg	30.91 Å
总原子数 total_atoms	6992
残基数 n_residues	856
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	97.5 Å
Rg (实空间) rg_real	31.01 Å
Rg 误差 (实空间) rg_real_error	0.66 Å
I(0) (实空间) i0_real	1.4980e+08
I(0) 误差 (实空间) i0_real_error	2.3860e+06
Rg (倒空间) rg_reciprocal	31.09 Å
I(0) (倒空间) i0_reciprocal	149800000.0000
解质量估计 total_estimate	0.6057
解质量评级 solution_quality	REASONABLE a REASONABLE solution
P(r) 峰数 n_peaks	2
主峰位置 r_peak_primary	38.2 Å
偏度 Skewness skewness	0.108
峰度 Kurtosis kurtosis	-0.549
角度范围 angular_range	— – 0.2550 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	39480000.0000
实空间数据点数 n_real_points	52
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.918; Stabil: 1.000; Sysdev: 0.040; Positv: 1.000; Valcen: 0.996; Smooth: 0.000

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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 (4)

实体 1 Entity 1 polymer

描述 description	ATP-DEPENDENT MOLECULAR CHAPERONE HSP82
分子量 formula_weight	24208.6 kDa
来源方法 src_method	man
拷贝数 entity_count	4

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,B,C,D
原子数 atom_count	7518

MASETFEFQAEITQLMSLIINTVYSNKEIFLRELISNASDALDKIRYKSLSDPKQLETEPDLFIRITPKPEQKVLEIRDSGIGMTKAELINNLGTIAKSGTKAFMEALSAGADVSMIGQFGVGFYSLFLVADRVQVISKSNDDEQYIWESNAGGSFTVTLDEVNERIGRGTILRLFLKDDQLEYLEEKRIKEVIKRHSEFVAYPIQLVVTKEVE

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	;(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 ;
分子量 formula_weight	502.6 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 3 Entity 3 non-polymer

描述 description	SULFATE ION
分子量 formula_weight	96.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	9

实体 4 Entity 4 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	447

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7. 折叠分类 (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d2vw5a_
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

结构域编号 domain_id	d2vw5b_
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

结构域编号 domain_id	d2vw5c_
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

结构域编号 domain_id	d2vw5d_
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 (4 domains)

结构域编号 domain_id	2vw5A00
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

结构域编号 domain_id	2vw5B00
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

结构域编号 domain_id	2vw5C00
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

结构域编号 domain_id	2vw5D00
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	104.193 Å
晶胞边长 b length_b	104.785 Å
晶胞边长 c length_c	109.913 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	89.98 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	16

空间群 space_group	C 1 2 1
空间群编号 int_tables_number	5
晶系 crystal_system	—

分辨率 resolution	1.900 Å
最低分辨率 resolution_low	109.760 Å
R 因子 r_factor	0.1900
R_work r_work	0.1880
R_free r_free	0.2260

fit	/app/data/saxs_computation/vw/2vw5/2vw5.fit
pddf	/app/data/pr_computation/vw/2vw5/2vw5.pr.out
profile	/app/data/saxs_computation/vw/2vw5/2vw5.dat