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5aqj

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

Method: X-RAY DIFFRACTION Dmax: 144.7 Å Quality: GOOD
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1. Protein Identity and Related Structures Protein Identity & Related Structures

HEAT SHOCK COGNATE 71 KDA PROTEIN

HOMO SAPIENS

UniProt P11142

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain E； UniProt 1–381 Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381 BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） 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 crystallization conditions：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 Resolution 1.96 Å R-free 0.221
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 1–381 Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381 BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） 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 crystallization conditions：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 Resolution 1.96 Å R-free 0.221
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 1–381 Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381 BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1 × 1 （Q99933） CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions：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 Resolution 1.96 Å R-free 0.221

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 5AQJ Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
3AGY Crystal structure of human Hsp40 Hdj1 peptide-binding domain complexed with a C-terminal peptide of Hsp70 Deposited 2010-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 5 PDB declaration: pentameric
Chain C 639–646（8 aa） Fragment：UNP residues 639-646
Chain D 639–646（8 aa） Fragment：UNP residues 639-646
Chain F 639–646（8 aa） Fragment：UNP residues 639-646
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；277 K；18% PEG 3350, 0.1M Na citrate, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 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 Deposited 2010-04-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric
Chain C 639–646（8 aa） Fragment：UNP residues 639-646
Chain D 639–646（8 aa） Fragment：UNP residues 639-646
Chain E 639–646（8 aa） Fragment：UNP residues 639-646
Chain F 639–646（8 aa） Fragment：UNP residues 639-646
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.8；277 K；18% PEG 3350, 0.1M CHES, pH 8.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K
Resolution 2.51 Å R-free 0.269
3ESK Structure of HOP TPR2A domain in complex with the non-cognate Hsc70 peptide ligand Deposited 2008-10-06 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 635–646（12 aa） Fragment：Hsc70 C-terminal peptide, UNP residues 635-646
Not recorded NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5；298 K；TRIS pH 8.5, PEG MME 2000, NiCl2, Xylitol, VAPOR DIFFUSION, temperature 298K
Resolution 2.05 Å R-free 0.244
3FZF Crystal Structure of Hsc70/Bag1 in complex with ATP Deposited 2009-01-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–381（378 aa） Fragment：UNP residues 4-381
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.20 Å R-free 0.292
3FZH Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–381（378 aa） Fragment：UNP residues 4-381
Not recorded 3BH (2R,3R,4S,5R)-2-(6,8-diaminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.272
3FZK Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 4–381（378 aa） Fragment：UNP residues 4-381
Not recorded 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 crystallization conditions 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
Resolution 2.10 Å R-free 0.294
3FZL Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–381（378 aa） Fragment：UNP residues 4-381
Not recorded 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 crystallization conditions 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
Resolution 2.20 Å R-free 0.304
3FZM Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 4–381（378 aa） Fragment：UNP residues 4-381
Not recorded 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 crystallization conditions 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
Resolution 2.30 Å R-free 0.254
3LDQ Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor Deposited 2010-01-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 4–381（378 aa）
Not recorded 3P1 8-[(quinolin-2-ylmethyl)amino]adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.90 Å R-free 0.256
3M3Z Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor Deposited 2010-03-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 4–381（378 aa）
Not recorded 3F5 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.10 Å R-free 0.293
4H5N HSC70 NBD with PO4, Na, Cl Deposited 2012-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–384（383 aa）
Not recorded PO4 PHOSPHATE ION × 5 CL CHLORIDE ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.86 Å R-free 0.248
4H5N HSC70 NBD with PO4, Na, Cl Deposited 2012-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–384（383 aa）
Not recorded PO4 PHOSPHATE ION × 6 CL CHLORIDE ION × 1 NA SODIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.86 Å R-free 0.248
4H5N HSC70 NBD with PO4, Na, Cl Deposited 2012-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–384（383 aa）
Chain B 2–384（383 aa）
Not recorded PO4 PHOSPHATE ION × 11 CL CHLORIDE ION × 2 NA SODIUM ION × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.86 Å R-free 0.248
4H5R HSC70 NBD with Na, Cl and glycerol Deposited 2012-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–384（383 aa）
Not recorded NA SODIUM ION × 1 PO4 PHOSPHATE ION × 5 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP
Resolution 1.64 Å R-free 0.239
4H5R HSC70 NBD with Na, Cl and glycerol Deposited 2012-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–384（383 aa）
Not recorded NA SODIUM ION × 1 PO4 PHOSPHATE ION × 2 CL CHLORIDE ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP
Resolution 1.64 Å R-free 0.239
4H5R HSC70 NBD with Na, Cl and glycerol Deposited 2012-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain A 2–384（383 aa）
Chain B 2–384（383 aa）
Not recorded NA SODIUM ION × 2 PO4 PHOSPHATE ION × 7 CL CHLORIDE ION × 2 SO4 SULFATE ION × 3 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8.5；0.1 M KCl in Tris, 30%PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP
Resolution 1.64 Å R-free 0.239
4H5T HSC70 NBD with ADP and Mg Deposited 2012-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–384（383 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.90 Å R-free 0.298
4H5V HSC70 NBD with Mg Deposited 2012-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–384（383 aa）
Not recorded SO4 SULFATE ION × 3 MG MAGNESIUM ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 4 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.75 Å R-free 0.215
4H5W HSC70 NBD with betaine Deposited 2012-09-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–384（383 aa）
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 2 BET TRIMETHYL GLYCINE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.94 Å R-free 0.253
4H5W HSC70 NBD with betaine Deposited 2012-09-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 2–384（383 aa）
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 2 BET TRIMETHYL GLYCINE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.94 Å R-free 0.253
4HWI Crystal structure of ATBAG1 in complex with HSP70 Deposited 2012-11-07 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 5–381（377 aa） Fragment：HSP70 ATPase domain (UNP residues 5-381)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.27 Å R-free 0.259
4KBQ Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains Deposited 2013-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 541–646（106 aa） Fragment：Lid-Tail (delta626-638)
Mutation：delta(626-638) deletion mutant No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.7M ammonium citrate, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.91 Å R-free 0.263
4KBQ Structure of the CHIP-TPR domain in complex with the Hsc70 Lid-Tail domains Deposited 2013-04-23 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 541–646（106 aa） Fragment：Lid-Tail (delta626-638)
Mutation：delta(626-638) deletion mutant No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；1.7M ammonium citrate, 0.1M HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.91 Å R-free 0.263
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded ADN ADENOSINE × 1 GOL GLYCEROL × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.88 Å R-free 0.208
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded ADN ADENOSINE × 1 GOL GLYCEROL × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.88 Å R-free 0.208
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.24 Å R-free 0.222
5AQH Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.228
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 7 ADE ADENINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.98 Å R-free 0.242
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 4 ADE ADENINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.98 Å R-free 0.242
5AQK Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.09 Å R-free 0.232
5AQL Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Mutation：YES TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.69 Å R-free 0.197
5AQL Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Mutation：YES TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.69 Å R-free 0.197
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Mutation：YES TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.63 Å R-free 0.195
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different mutation/modification Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Mutation：YES TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.63 Å R-free 0.195
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.45 Å R-free 0.228
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.12 Å R-free 0.210
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded 1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.08 Å R-free 0.209
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.72 Å R-free 0.241
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 1.91 Å R-free 0.236
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.261
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN RESIDUES 1-381
Not recorded 1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.261
5AQT Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 1.90 Å R-free 0.222
5AQU Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, UNP RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 1.92 Å R-free 0.201
5AQV Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–381（381 aa） Fragment：NUCLEOTIDE BINDING DOMAIN, RESIDUES 1-381
Not recorded 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 crystallization conditions 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
Resolution 1.75 Å R-free 0.197
6B1I Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant Deposited 2017-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–381（377 aa）
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ATP
Resolution 2.30 Å R-free 0.242
6B1I Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant Deposited 2017-09-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 5–381（377 aa）
Not recorded MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ATP
Resolution 2.30 Å R-free 0.242
6B1M Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant Deposited 2017-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 5–381（377 aa）
Mutation：C17W ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, AppNHp
Resolution 1.90 Å R-free 0.230
6B1M Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant Deposited 2017-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–381（377 aa）
Mutation：C17W ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, AppNHp
Resolution 1.90 Å R-free 0.230
6B1N Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant Deposited 2017-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–381（377 aa）
Mutation：C17W ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ADP
Resolution 1.80 Å R-free 0.226
6B1N Disrupted hydrogen bond network impairs ATPase activity in an Hsc70 cysteine mutant Deposited 2017-09-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 5–381（377 aa）
Mutation：C17W ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293.15 K；NaCl, Tris, PEG 3350, MgCl2, ADP
Resolution 1.80 Å R-free 0.226
6ZYJ Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium Deposited 2020-08-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–384（380 aa）
Not recorded ACT ACETATE ION × 1 CA CALCIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG3350, 0.2M Ca acetate
Resolution 1.85 Å R-free 0.247
6ZYJ Crystal structure of Hsc70 ATPase domain in complex with ADP and calcium Deposited 2020-08-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 5–384（380 aa）
Not recorded ACT ACETATE ION × 1 CA CALCIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；24% PEG3350, 0.2M Ca acetate
Resolution 1.85 Å R-free 0.247

37 other PDB entries and 64 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name HSP7C_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 6–386； UniProt 1–381 Author chain C； PDBConstruct 6–386； UniProt 1–381 Author chain E； PDBConstruct 6–386； UniProt 1–381

BAG FAMILY MOLECULAR CHAPERONE REGULATOR 1

HOMO SAPIENS

UniProt Q99933

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain F； UniProt 222–334 Fragment：RESIDUES 222-334 HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） 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 crystallization conditions：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 Resolution 1.96 Å R-free 0.221
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 222–334 Fragment：RESIDUES 222-334 HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） 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 crystallization conditions：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 Resolution 1.96 Å R-free 0.221
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain D； UniProt 222–334 Fragment：RESIDUES 222-334 HEAT SHOCK COGNATE 71 KDA PROTEIN × 1 （P11142） CL CHLORIDE ION × 1 Q88 9H-purine-6,8-diamine × 1 GOL GLYCEROL × 8 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION X-ray crystallization conditions：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 Resolution 1.96 Å R-free 0.221

Other States of the Same Protein in the Database

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

Other PDB Difference from Current Entry 5AQJ Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1HX1 CRYSTAL STRUCTURE OF A BAG DOMAIN IN COMPLEX WITH THE HSC70 ATPASE DOMAIN Deposited 2001-01-11 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：BAG DOMAIN
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.90 Å R-free 0.279
1WXV Solution structure of the ubiquitin domain of BCL-2 binding athanogene-1 Deposited 2005-02-02 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 73–151（79 aa） Fragment：ubiquitin-like domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 100mM；Pressure ambient
NMR sample composition 1.04mM ubiquitin domain U-13C, 15N; 20mM d-Tris-HCl; 100mM NaCl; 1mM d-DTT; 0.02 % NaN3 | 90% H2O/10% D2O
Resolution not provided
3FZF Crystal Structure of Hsc70/Bag1 in complex with ATP Deposited 2009-01-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 222–334（113 aa） Fragment：UNP residues 222-334
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.20 Å R-free 0.292
3FZH Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 222–334（113 aa） Fragment：UNP residues 222-334
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.272
3FZK Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP residues 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.10 Å R-free 0.294
3FZL Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 222–334（113 aa） Fragment：UNP residues 222-334
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.20 Å R-free 0.304
3FZM Crystal Structures of Hsc70/Bag1 in Complex with Small Molecule Inhibitors Deposited 2009-01-26 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP residues 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.30 Å R-free 0.254
3LDQ Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor Deposited 2010-01-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa）
Not recorded 3P1 8-[(quinolin-2-ylmethyl)amino]adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.90 Å R-free 0.256
3M3Z Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor Deposited 2010-03-10 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa）
Not recorded 3F5 5'-O-(2-amino-2-oxoethyl)-8-(methylamino)adenosine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.10 Å R-free 0.293
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded ADN ADENOSINE × 1 GOL GLYCEROL × 8 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.88 Å R-free 0.208
5AQF Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded ADN ADENOSINE × 1 GOL GLYCEROL × 4 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.88 Å R-free 0.208
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.24 Å R-free 0.222
5AQG Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.24 Å R-free 0.222
5AQH Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.00 Å R-free 0.228
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 7 ADE ADENINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.98 Å R-free 0.242
5AQI Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 4 ADE ADENINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.98 Å R-free 0.242
5AQK Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.09 Å R-free 0.232
5AQL Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.69 Å R-free 0.197
5AQL Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.69 Å R-free 0.197
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.63 Å R-free 0.195
5AQM Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222-334
Not recorded TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 2 GOL GLYCEROL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 1.63 Å R-free 0.195
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 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 crystallization conditions 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
Resolution 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 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 crystallization conditions 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
Resolution 2.45 Å R-free 0.228
5AQN Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 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 crystallization conditions 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
Resolution 2.45 Å R-free 0.228
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 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 crystallization conditions 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
Resolution 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 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 crystallization conditions 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
Resolution 2.12 Å R-free 0.210
5AQO Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 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 crystallization conditions 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
Resolution 2.12 Å R-free 0.210
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 1LQ quinazolin-4-amine × 1 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.08 Å R-free 0.209
5AQP Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.08 Å R-free 0.209
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 2.72 Å R-free 0.241
5AQQ Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded BBW 7-methylquinazolin-4-amine × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.72 Å R-free 0.241
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 1.91 Å R-free 0.236
5AQR Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 1.91 Å R-free 0.236
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.261
5AQS Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：RESIDUES 222 TO 334
Not recorded 1SQ ISOQUINOLIN-1-AMINE × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions 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
Resolution 2.00 Å R-free 0.261
5AQT Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 1.90 Å R-free 0.222
5AQU Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 1.92 Å R-free 0.201
5AQV Fragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues Deposited 2015-09-22 Different construct Different ligand/ion Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 222–334（113 aa） Fragment：UNP RESIDUES 222-334
Not recorded 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 crystallization conditions 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
Resolution 1.75 Å R-free 0.197
9HEU Co-chaperone Bag1-bound human 26S proteasome in SBAG1 state Deposited 2024-11-14 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 47 PDB declaration: 47-meric
Chain x 116–345（230 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.6
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å
9SZT Co-chaperone Bag1-bound human 26S proteasome in SBAG1.2 state Deposited 2025-10-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 47 PDB declaration: 47-meric
Chain x 116–345（230 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.6
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
9SZV Co-chaperone Bag1-bound human 26S proteasome in SBAG1.3 state Deposited 2025-10-15 Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 47 PDB declaration: 47-meric
Chain x 116–345（230 aa）
Not recorded ATP ADENOSINE-5'-TRIPHOSPHATE × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 5 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.6
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.60 Å

28 other PDB entries and 45 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name BAG1_HUMAN
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 6–118； UniProt 222–334 Author chain D； PDBConstruct 6–118； UniProt 222–334 Author chain F； PDBConstruct 6–118； UniProt 222–334

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 5aqj

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5aqj
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2. Structure Basics 2. Structure Basics

Entry ID entry_id5aqj
Deposition date deposition_date2015-09-22
Structure title titleFragment-based screening of HSP70 sheds light on the functional role of ATP-binding site residues
Keywords keywordsHEAT SHOCK PROTEIN, HSP70, HSP72, HSC70, ATPASE, BAG1, CHAPERONE, FRAGMENT; CHAPERONE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier44.86 Å
Radius of gyration Rg (electron density) rg_electron44.70 Å
Forward intensity I(0) i0399964000.00
Molecular weight molecular_weight162980.0 kDa
Excluded volume excluded_volume203540 ų
Envelope volume envelope_volume282390 ų
Hydration-shell volume shell_volume54372 ų
Envelope diameter envelope_diameter148.5 Å
Shell Rg shell_rg47.43 Å
Envelope Rg envelope_rg43.73 Å
Shape Rg shape_rg44.71 Å
Total Rg total_rg44.80 Å
Total atoms total_atoms11455
Residues n_residues1482
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax144.7 Å
Rg (real space) rg_real44.80 Å
Rg uncertainty (real space) rg_real_error1.54 Å
I(0) (real space) i0_real4.0000e+08
I(0) uncertainty (real space) i0_real_error7.7670e+06
Rg (reciprocal space) rg_reciprocal44.86 Å
I(0) (reciprocal space) i0_reciprocal400000000.0000
Solution quality estimate total_estimate0.8970
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary62.0 Å
Skewness Skewness skewness0.143
Kurtosis Kurtosis kurtosis-0.762
Angular range angular_range— – 0.1750 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha44240000.0000
Real-space data points n_real_points36
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.935; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.967; Smooth: 0.887
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (8)

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7. Fold Classification (SCOP + CATH) 22 domains

SCOP 2.08 (7 domains)

Domain ID domain_idd5aqja1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqja2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqjc1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqjc2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqje1
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqje2
Class classc — Alpha and beta proteins (a/b)
Fold Fold foldc.55 — Ribonuclease H-like motif
Superfamily Superfamily superfamilyc.55.1 — Actin-like ATPase domain
Family Family familyc.55.1.1 — Actin/HSP70
Domain ID domain_idd5aqje3
Class classl — Artifacts
Fold Fold foldl.1 — Tags
Superfamily Superfamily superfamilyl.1.1 — Tags
Family Family familyl.1.1.1 — Tags

CATH v4.4 (15 domains)

Domain ID domain_id5aqjA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqjA02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology30 — Defensin A-like
Homologous superfamily homologous superfamily30 —
Domain ID domain_id5aqjA03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqjA04
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily10 — ATPase, substrate binding domain, subdomain 4
Domain ID domain_id5aqjB00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily120 — BAG domain
Domain ID domain_id5aqjC01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqjC02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology30 — Defensin A-like
Homologous superfamily homologous superfamily30 —
Domain ID domain_id5aqjC03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqjC04
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily10 — ATPase, substrate binding domain, subdomain 4
Domain ID domain_id5aqjD00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily120 — BAG domain
Domain ID domain_id5aqjE01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqjE02
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology30 — Defensin A-like
Homologous superfamily homologous superfamily30 —
Domain ID domain_id5aqjE03
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily40 — ATPase, nucleotide binding domain
Domain ID domain_id5aqjE04
Class class3 — Alpha Beta
Architecture architecture90 — Alpha-Beta Complex
Topology topology640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily10 — ATPase, substrate binding domain, subdomain 4
Domain ID domain_id5aqjF00
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology58 — Methane Monooxygenase Hydroxylase; Chain G, domain 1
Homologous superfamily homologous superfamily120 — BAG domain
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8. Citations (1)

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9. Files and Curves (10)