5aql

Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

Method: X-RAY DIFFRACTION D_max: 131.3 Å Quality: GOOD

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

HEAT SHOCK COGNATE 71 KDA PROTEIN

HOMO SAPIENS

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	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 A； UniProt 1–381	片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381 突变：YES	BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件：pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.69 Å R-free 0.197
2	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 C； UniProt 1–381	片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381 突变：YES	BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件：pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.69 Å R-free 0.197

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 5AQL	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
3AGY Crystal structure of human Hsp40 Hdj1 peptide-binding domain complexed with a C-terminal peptide of Hsp70 提交 2010-04-12	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 蛋白异源复合物异源复合物；蛋白 × 5 PDB 声明：pentameric	链 C 639–646（8 aa）片段：UNP residues 639-646 链 D 639–646（8 aa）片段：UNP residues 639-646 链 F 639–646（8 aa）片段：UNP residues 639-646	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；277 K；18% PEG 3350, 0.1M Na citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 1.85 Å R-free 0.247
3AGZ Crystal structure of human Hsp40 Hdj1 peptide-binding domain complexed with a C-terminal peptide of Hsp70 提交 2010-04-12	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 蛋白异源复合物异源复合物；蛋白 × 6 PDB 声明：hexameric	链 C 639–646（8 aa）片段：UNP residues 639-646 链 D 639–646（8 aa）片段：UNP residues 639-646 链 E 639–646（8 aa）片段：UNP residues 639-646 链 F 639–646（8 aa）片段：UNP residues 639-646	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 8.8；277 K；18% PEG 3350, 0.1M CHES, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K	分辨率 2.51 Å R-free 0.269
3ESK Structure of HOP TPR2A domain in complex with the non-cognate Hsc70 peptide ligand 提交 2008-10-06	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 635–646（12 aa）片段：Hsc70 C-terminal peptide, UNP residues 635-646	未记录	NI NICKEL (II) ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；298 K；TRIS pH 8.5, PEG MME 2000, NiCl2, Xylitol, VAPOR DIFFUSION, temperature 298K	分辨率 2.05 Å R-free 0.244
3FZF Crystal Structure of Hsc70/Bag1 in complex with ATP 提交 2009-01-26	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 4–381（378 aa）片段：UNP residues 4-381	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.292
3FZH Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 4–381（378 aa）片段：UNP residues 4-381	未记录	3BH (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.272
3FZK Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 4–381（378 aa）片段：UNP residues 4-381	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 3BK (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.294
3FZL Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 4–381（378 aa）片段：UNP residues 4-381	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 3FD 4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.304
3FZM Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 4–381（378 aa）片段：UNP residues 4-381	未记录	3GO 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.30 Å R-free 0.254
3LDQ Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor 提交 2010-01-13	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 4–381（378 aa）	未记录	3P1 8-[(quinolin-2-ylmethyl)amino]adenosine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M TRIS BUFFER, 25MM SODIUM-POTASSIUM TARTRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.256
3M3Z Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor 提交 2010-03-10	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 4–381（378 aa）	未记录	3F5 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M TRIS BUFFER, 25MM SODIUM-POTASSIUM TARTRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.293
4H5N HSC70 NBD with PO4, Na, Cl 提交 2012-09-18	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 2–384（383 aa）	未记录	PO4 PHOSPHATE ION × 5 CL CHLORIDE ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.86 Å R-free 0.248
4H5N HSC70 NBD with PO4, Na, Cl 提交 2012-09-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–384（383 aa）	未记录	PO4 PHOSPHATE ION × 6 CL CHLORIDE ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.86 Å R-free 0.248
4H5N HSC70 NBD with PO4, Na, Cl 提交 2012-09-18	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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–384（383 aa）链 B 2–384（383 aa）	未记录	PO4 PHOSPHATE ION × 11 CL CHLORIDE ION × 2 NA SODIUM ION × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.86 Å R-free 0.248
4H5R HSC70 NBD with Na, Cl and glycerol 提交 2012-09-18	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 2–384（383 aa）	未记录	NA SODIUM ION × 1 PO4 PHOSPHATE ION × 5 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP	分辨率 1.64 Å R-free 0.239
4H5R HSC70 NBD with Na, Cl and glycerol 提交 2012-09-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–384（383 aa）	未记录	NA SODIUM ION × 1 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP	分辨率 1.64 Å R-free 0.239
4H5R HSC70 NBD with Na, Cl and glycerol 提交 2012-09-18	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 3 蛋白同源多聚体同源多聚体；蛋白 × 2 PDB 声明：dimeric	链 A 2–384（383 aa）链 B 2–384（383 aa）	未记录	NA SODIUM ION × 2 PO4 PHOSPHATE ION × 7 CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP	分辨率 1.64 Å R-free 0.239
4H5T HSC70 NBD with ADP and Mg 提交 2012-09-18	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 2–384（383 aa）	未记录	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 9.5；298 K；0.1 M TRIS buffer, 1.5M NaCl, pH 9.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.90 Å R-free 0.298
4H5V HSC70 NBD with Mg 提交 2012-09-18	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 2–384（383 aa）	未记录	SO4 SULFATE ION × 3 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 4 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 5.6；298 K；0.1 M ammonium sulfate (AS) in 0.1 M MES buffer, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.75 Å R-free 0.215
4H5W HSC70 NBD with betaine 提交 2012-09-19	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 2–384（383 aa）	未记录	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 2 BET TRIMETHYL GLYCINE × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M Ammonium Acetate, 0.1 M Tris, 25% PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.94 Å R-free 0.253
4H5W HSC70 NBD with betaine 提交 2012-09-19	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 2 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 2–384（383 aa）	未记录	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 2 BET TRIMETHYL GLYCINE × 1 ACT ACETATE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；pH 8.5；298 K；0.2 M Ammonium Acetate, 0.1 M Tris, 25% PEG3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K	分辨率 1.94 Å R-free 0.253
4HWI Crystal structure of ATBAG1 in complex with HSP70 提交 2012-11-07	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 5–381（377 aa）片段：HSP70 ATPase domain (UNP residues 5-381)	未记录	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION；pH 7.5；277 K；0.02 M citric acid / 0.08 M Bis-Tris propane, pH 8.8, 20% PEG3350, VAPOR DIFFUSION, temperature 277K	分辨率 2.27 Å R-free 0.259
4KBQ Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains 提交 2013-04-23	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 541–646（106 aa）片段：Lid-Tail (delta626-638)	突变：delta(626-638) deletion mutant	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.7M ammonium citrate, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.91 Å R-free 0.263
4KBQ Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains 提交 2013-04-23	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 541–646（106 aa）片段：Lid-Tail (delta626-638)	突变：delta(626-638) deletion mutant	未记录非水小分子	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.7M ammonium citrate, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.91 Å R-free 0.263
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	ADN ADENOSINE × 1 GOL GLYCEROL × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；HSC70/BAG1 COMPLEX AT 10 MG/ML INCUBATED WITH 5 MM ADENOSINE, MIXED 1:1 WITH 16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.88 Å R-free 0.208
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	ADN ADENOSINE × 1 GOL GLYCEROL × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；HSC70/BAG1 COMPLEX AT 10 MG/ML INCUBATED WITH 5 MM ADENOSINE, MIXED 1:1 WITH 16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.88 Å R-free 0.208
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	ZJB (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	ZJB (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 GOL GLYCEROL × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	ZJB (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.24 Å R-free 0.222
5AQH Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	ZVO 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine × 1 GOL GLYCEROL × 7 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.00 Å R-free 0.228
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 7 ADE ADENINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.98 Å R-free 0.242
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 4 ADE ADENINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.98 Å R-free 0.242
5AQJ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.96 Å R-free 0.221
5AQJ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.96 Å R-free 0.221
5AQJ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.96 Å R-free 0.221
5AQK Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	GDP GUANOSINE-5'-DIPHOSPHATE × 2 GOL GLYCEROL × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5, 25% (V/V) GLYCEROL AND 100 MM GDP FROM 1 M STOCK AT PH 7.5	分辨率 2.09 Å R-free 0.232
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	突变：YES	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.63 Å R-free 0.195
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	突变：YES	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.63 Å R-free 0.195
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	JG8 BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE × 1 GOL GLYCEROL × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	JG8 BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE × 1 GOL GLYCEROL × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	JG8 BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE × 1 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.45 Å R-free 0.228
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	GOL GLYCEROL × 6 CWS 6-METHYLQUINAZOLIN-4-AMINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	GOL GLYCEROL × 10 CWS 6-METHYLQUINAZOLIN-4-AMINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	GOL GLYCEROL × 5 CWS 6-METHYLQUINAZOLIN-4-AMINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.12 Å R-free 0.210
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.08 Å R-free 0.209
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.72 Å R-free 0.241
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 N8Y 6-methoxyquinazolin-4-amine × 1 GOL GLYCEROL × 11 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 N8Y 6-methoxyquinazolin-4-amine × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同突变/修饰不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 E 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 N8Y 6-methoxyquinazolin-4-amine × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.91 Å R-free 0.236
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 C 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.00 Å R-free 0.261
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381	未记录	1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.00 Å R-free 0.261
5AQT Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	5P7 (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.90 Å R-free 0.222
5AQU Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381	未记录	GOL GLYCEROL × 9 UX0 (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.92 Å R-free 0.201
5AQV Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	突变/修饰不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 A 1–381（381 aa）片段：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381	未记录	KC7 (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 7 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.75 Å R-free 0.197
6B1I Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 提交 2017-09-18	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 5–381（377 aa）	未记录	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ATP	分辨率 2.30 Å R-free 0.242
6B1I Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 提交 2017-09-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 5–381（377 aa）	未记录	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ATP	分辨率 2.30 Å R-free 0.242
6B1M Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 提交 2017-09-18	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 B 5–381（377 aa）	突变：C17W	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, AppNHp	分辨率 1.90 Å R-free 0.230
6B1M Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 提交 2017-09-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 5–381（377 aa）	突变：C17W	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, AppNHp	分辨率 1.90 Å R-free 0.230
6B1N Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 提交 2017-09-18	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 5–381（377 aa）	突变：C17W	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ADP	分辨率 1.80 Å R-free 0.226
6B1N Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant 提交 2017-09-18	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 5–381（377 aa）	突变：C17W	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ADP	分辨率 1.80 Å R-free 0.226
6ZYJ Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium 提交 2020-08-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 5–384（380 aa）	未记录	ACT ACETATE ION × 1 CA CALCIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG3350, 0.2M Ca acetate	分辨率 1.85 Å R-free 0.247
6ZYJ Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium 提交 2020-08-01	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 B 5–384（380 aa）	未记录	ACT ACETATE ION × 1 CA CALCIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG3350, 0.2M Ca acetate	分辨率 1.85 Å R-free 0.247

共 37 个其他 PDB 条目、65 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	HSP7C_HUMAN
Isoform	—
PDB实体	1
链与序列区间	作者链 A； PDB构建体 6–386； UniProt 1–381 作者链 C； PDB构建体 6–386； UniProt 1–381

BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1

HOMO SAPIENS

UniProt Q99933

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	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 B； UniProt 222–334	片段：RESIDUES 222-334	HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件：pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.69 Å R-free 0.197
2	蛋白异源复合物异源复合物蛋白 × 2 PDB 声明：dimeric（2）与蛋白拷贝数一致	链 D； UniProt 222–334	片段：RESIDUES 222-334	HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件：pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.69 Å R-free 0.197

数据库中的同蛋白其他状态

其他 PDB	相对当前条目 5AQL	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
1HX1 CRYSTAL STRUCTURE OF A BAG DOMAIN IN COMPLEX WITH THE HSC70 ATPASE DOMAIN 提交 2001-01-11	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：BAG DOMAIN	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；PEG3350, Tris, Na-K-tartrate, glycerol, DTT, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.279
1WXV Solution structure of the ubiquitin domain of BCL-2 binding athanogene-1 提交 2005-02-02	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 蛋白单体单体；蛋白 × 1 PDB 声明：monomeric	链 A 73–151（79 aa）片段：ubiquitin-like domain	未记录	未记录非水小分子	SOLUTION NMR NMR测量条件 pH 7；298 K；离子强度（mmCIF原始值）100mM；压力 ambient NMR样品组成 1.04mM ubiquitin domain U-13C, 15N; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02 % NaN3 \| 90% H2O/10% D2O	分辨率未提供
3FZF Crystal Structure of Hsc70/Bag1 in complex with ATP 提交 2009-01-26	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 222–334（113 aa）片段：UNP residues 222-334	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 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.292
3FZH Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 222–334（113 aa）片段：UNP residues 222-334	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 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.00 Å R-free 0.272
3FZK Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP residues 222-334	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1 3BK (2R,3R,4S,5R)-2-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.294
3FZL Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 222–334（113 aa）片段：UNP residues 222-334	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 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.20 Å R-free 0.304
3FZM Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors 提交 2009-01-26	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP residues 222-334	未记录	3GO 4-[[(2R,3S,4R,5R)-5-[6-amino-8-(quinolin-6-ylmethylamino)purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitri le × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M Tris buffer, 25mM sodium-potassium tartrate, pH8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.30 Å R-free 0.254
3LDQ Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor 提交 2010-01-13	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）	未记录	3P1 8-[(quinolin-2-ylmethyl)amino]adenosine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M TRIS BUFFER, 25MM SODIUM-POTASSIUM TARTRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 1.90 Å R-free 0.256
3M3Z Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor 提交 2010-03-10	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 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）	未记录	3F5 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine × 1	X-RAY DIFFRACTION X-ray结晶条件 VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；15% PEG3350, 0.1M TRIS BUFFER, 25MM SODIUM-POTASSIUM TARTRATE, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	分辨率 2.10 Å R-free 0.293
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	ADN ADENOSINE × 1 GOL GLYCEROL × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；HSC70/BAG1 COMPLEX AT 10 MG/ML INCUBATED WITH 5 MM ADENOSINE, MIXED 1:1 WITH 16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.88 Å R-free 0.208
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 D 222–334（113 aa）片段：RESIDUES 222-334	未记录	ADN ADENOSINE × 1 GOL GLYCEROL × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；HSC70/BAG1 COMPLEX AT 10 MG/ML INCUBATED WITH 5 MM ADENOSINE, MIXED 1:1 WITH 16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.88 Å R-free 0.208
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	ZJB (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：RESIDUES 222-334	未记录	ZJB (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 GOL GLYCEROL × 6 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：RESIDUES 222-334	未记录	ZJB (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL × 1 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.24 Å R-free 0.222
5AQH Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	ZVO 5-methyl-1,5-dihydro-1,4,5,6,8-pentaazaacenaphthylen-3-amine × 1 GOL GLYCEROL × 7 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.00 Å R-free 0.228
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 7 ADE ADENINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.98 Å R-free 0.242
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：RESIDUES 222-334	未记录	DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 4 ADE ADENINE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.98 Å R-free 0.242
5AQJ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：RESIDUES 222-334	未记录	CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.96 Å R-free 0.221
5AQJ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 3 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.96 Å R-free 0.221
5AQJ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：RESIDUES 222-334	未记录	CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.96 Å R-free 0.221
5AQK Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	GDP GUANOSINE-5'-DIPHOSPHATE × 2 GOL GLYCEROL × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5, 25% (V/V) GLYCEROL AND 100 MM GDP FROM 1 M STOCK AT PH 7.5	分辨率 2.09 Å R-free 0.232
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222-334	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.63 Å R-free 0.195
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	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 D 222–334（113 aa）片段：RESIDUES 222-334	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.63 Å R-free 0.195
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	JG8 BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE × 1 GOL GLYCEROL × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	JG8 BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE × 1 GOL GLYCEROL × 3 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	JG8 BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE × 1 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.45 Å R-free 0.228
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	GOL GLYCEROL × 6 CWS 6-METHYLQUINAZOLIN-4-AMINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	GOL GLYCEROL × 10 CWS 6-METHYLQUINAZOLIN-4-AMINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	GOL GLYCEROL × 5 CWS 6-METHYLQUINAZOLIN-4-AMINE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.12 Å R-free 0.210
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.08 Å R-free 0.209
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.72 Å R-free 0.241
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 N8Y 6-methoxyquinazolin-4-amine × 1 GOL GLYCEROL × 11 DMS DIMETHYL SULFOXIDE × 4	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 N8Y 6-methoxyquinazolin-4-amine × 1 GOL GLYCEROL × 5 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 3 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 F 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 N8Y 6-methoxyquinazolin-4-amine × 1 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.91 Å R-free 0.236
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 D 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.00 Å R-free 0.261
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 2 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：RESIDUES 222 TO 334	未记录	1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 5	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 2.00 Å R-free 0.261
5AQT Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	5P7 (1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 6	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.90 Å R-free 0.222
5AQU Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	GOL GLYCEROL × 9 UX0 (1S,2R,3R,5R)-3-(HYDROXYMETHYL)-5-((5-METHOXYQUINAZOLIN-4-YL)AMINO)CYCLOPENTANE-1,2-DIOL × 1 DMS DIMETHYL SULFOXIDE × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 MG MAGNESIUM ION × 1	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.92 Å R-free 0.201
5AQV Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues 提交 2015-09-22	构建体不同配体/离子不同结构质量不同	Assembly 1 蛋白异源复合物异源复合物；蛋白 × 2 PDB 声明：dimeric	链 B 222–334（113 aa）片段：UNP RESIDUES 222-334	未记录	KC7 (1R,2S,3R,5R)-3-((5-(benzyloxy)quinazolin-4-yl)amino)-5-(hydroxymethyl)cyclopentane-1,2-diol × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 GOL GLYCEROL × 7 DMS DIMETHYL SULFOXIDE × 3	X-RAY DIFFRACTION X-ray结晶条件 pH 8.5；16-26% (W/V) PEG3350, 0.1 M K-NA TARTRATE, 0.1 M TRIS.HCL PH 8.5 AND 25% (V/V) GLYCEROL	分辨率 1.75 Å R-free 0.197
9HEU Co-chaperone Bag1-bound human 26S proteasome in SBAG1 state 提交 2024-11-14	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 × 47 PDB 声明：47-meric	链 x 116–345（230 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.6 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.60 Å
9SZT Co-chaperone Bag1-bound human 26S proteasome in SBAG1.2 state 提交 2025-10-15	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 × 47 PDB 声明：47-meric	链 x 116–345（230 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.6 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.50 Å
9SZV Co-chaperone Bag1-bound human 26S proteasome in SBAG1.3 state 提交 2025-10-15	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 × 47 PDB 声明：47-meric	链 x 116–345（230 aa）	未记录	ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 5	ELECTRON MICROSCOPY cryo-EM缓冲液 pH 7.6 cryo-EM玻璃化条件冷冻剂 ETHANE	分辨率 3.60 Å

共 28 个其他 PDB 条目、46 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	BAG1_HUMAN
Isoform	—
PDB实体	2
链与序列区间	作者链 B； PDB构建体 6–118； UniProt 222–334 作者链 D； PDB构建体 6–118； UniProt 222–334

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	5aql
沉积日期 deposition_date	2015-09-22
结构标题 title	Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
关键词 keywords	HEAT SHOCK PROTEIN, HSP70, HSP72, HSC70, ATPASE, BAG1, CHAPERONE, FRAGMENT; 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	38.10 Å
回转半径 Rg (电子) rg_electron	38.01 Å
零角强度 I(0) i0	180661000.00
分子量 molecular_weight	108700.0 kDa
排除体积 excluded_volume	136210 Å³
包络体积 envelope_volume	186630 Å³
水化壳体积 shell_volume	42094 Å³
包络直径 envelope_diameter	139.9 Å
壳层 Rg shell_rg	42.64 Å
包络 Rg envelope_rg	37.46 Å
形状 Rg shape_rg	38.00 Å
总 Rg total_rg	38.33 Å
总原子数 total_atoms	7647
残基数 n_residues	988
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	131.3 Å
Rg (实空间) rg_real	38.29 Å
Rg 误差 (实空间) rg_real_error	1.26 Å
I(0) (实空间) i0_real	1.8070e+08
I(0) 误差 (实空间) i0_real_error	3.2350e+06
Rg (倒空间) rg_reciprocal	38.18 Å
I(0) (倒空间) i0_reciprocal	180600000.0000
解质量估计 total_estimate	0.8750
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	38.4 Å
偏度 Skewness skewness	0.405
峰度 Kurtosis kurtosis	-0.413
角度范围 angular_range	— – 0.2050 Å⁻¹
当前正则化参数 α current_alpha	0.0000
最高正则化参数 α highest_alpha	17260000.0000
实空间数据点数 n_real_points	42
GNOM 版本 gnom_version	4.1.3
质量判据 quality_criteria	AN1: 0.000; Oscil: 0.845; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.925; Smooth: 0.911

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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 (5)

实体 1 Entity 1 polymer

描述 description	HEAT SHOCK COGNATE 71 KDA PROTEIN
分子量 formula_weight	42506.1 kDa
EC 编号 ec_number	3.6.3.51
突变 mutation	YES
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	A,C
原子数 atom_count	8593

GPLGSMSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIEDGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLWSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILS

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

实体 2 Entity 2 polymer

描述 description	BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1
分子量 formula_weight	13511.6 kDa
来源方法 src_method	man
拷贝数 entity_count	2

聚合物 Polymer

聚合物类型 type	polypeptide(L)
链编号 strand_id	B,D

GPLGSNSPQEEVELKKLKHLEKSVEKIADQLEELNKELTGIQQGFLPKDLQAEALCKLDRRVKATIEQFMKILEEIDTLILPENFKDSRLKRKGLVKKVQAFLAECDTVEQNICQETE

来源 Source

来源生物 organism	HOMO SAPIENS
通用名 common_name	HUMAN
NCBI 分类编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	ESCHERICHIA COLI

实体 3 Entity 3 non-polymer

描述 description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
分子量 formula_weight	122.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	4

实体 4 Entity 4 non-polymer

描述 description	GLYCEROL
分子量 formula_weight	92.1 kDa
来源方法 src_method	syn
拷贝数 entity_count	5

实体 5 Entity 5 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	908

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7. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (4 domains)

结构域编号 domain_id	d5aqla1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.1 — Actin/HSP70

结构域编号 domain_id	d5aqla2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.1 — Actin/HSP70

结构域编号 domain_id	d5aqlc1
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.1 — Actin/HSP70

结构域编号 domain_id	d5aqlc2
类 Class class	c — Alpha and beta proteins (a/b)
折叠类型 Fold fold	c.55 — Ribonuclease H-like motif
超家族 Superfamily superfamily	c.55.1 — Actin-like ATPase domain
家族 Family family	c.55.1.1 — Actin/HSP70

CATH v4.4 (10 domains)

结构域编号 domain_id	5aqlA01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	5aqlA02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	30 — Defensin A-like
同源超家族 H-superfamily homologous superfamily	30 —

结构域编号 domain_id	5aqlA03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	5aqlA04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	640 — Actin; Chain A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — ATPase, substrate binding domain, subdomain 4

结构域编号 domain_id	5aqlB00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	120 — BAG domain

结构域编号 domain_id	5aqlC01
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	5aqlC02
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	30 — Defensin A-like
同源超家族 H-superfamily homologous superfamily	30 —

结构域编号 domain_id	5aqlC03
类 Class class	3 — Alpha Beta
架构 Architecture architecture	30 — 2-Layer Sandwich
拓扑 Topology topology	420 — Nucleotidyltransferase; domain 5
同源超家族 H-superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

结构域编号 domain_id	5aqlC04
类 Class class	3 — Alpha Beta
架构 Architecture architecture	90 — Alpha-Beta Complex
拓扑 Topology topology	640 — Actin; Chain A, domain 4
同源超家族 H-superfamily homologous superfamily	10 — ATPase, substrate binding domain, subdomain 4

结构域编号 domain_id	5aqlD00
类 Class class	1 — Mainly Alpha
架构 Architecture architecture	20 — Up-down Bundle
拓扑 Topology topology	58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
同源超家族 H-superfamily homologous superfamily	120 — BAG domain

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8. 引用文献 (1)

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晶胞边长 a length_a	232.027 Å
晶胞边长 b length_b	40.928 Å
晶胞边长 c length_c	116.546 Å
晶胞夹角 α angle_alpha	90.00 °
晶胞夹角 β angle_beta	90.58 °
晶胞夹角 γ angle_gamma	90.00 °
晶胞分子数 Z z_pdb	8

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	1.690 Å
最低分辨率 resolution_low	58.270 Å
R 因子 r_factor	0.1701
R_work r_work	0.1687
R_free r_free	0.1965

fit	/app/data/saxs_computation/aq/5aql/5aql.fit
pddf	/app/data/pr_computation/aq/5aql/5aql.pr.out
profile	/app/data/saxs_computation/aq/5aql/5aql.dat

Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues

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

HEAT SHOCK COGNATE 71 KDA PROTEIN

当前结构中的状态

数据库中的同蛋白其他状态

BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1

当前结构中的状态

数据库中的同蛋白其他状态

SAXS 散射曲线 SAXS Profile

P(r) 距离分布 P(r) Distribution

2. 结构基本信息 2. Structure Basics

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

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

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

晶胞参数 Unit Cell

对称性 Symmetry

精修参数 Refinement

衍射实验 Diffraction

6. 实体与聚合物信息 Entities & Polymers (5)

实体 1 Entity 1 polymer

聚合物 Polymer

来源 Source

实体 2 Entity 2 polymer

聚合物 Polymer

来源 Source

实体 3 Entity 3 non-polymer

实体 4 Entity 4 non-polymer

实体 5 Entity 5 water

7. 折叠分类 (SCOP + CATH) 14 domains

SCOP 2.08 (4 domains)

CATH v4.4 (10 domains)

8. 引用文献 (1)

9. 文件与曲线 (10)

Files (7)

Curves (3)