6h54

CRYSTAL STRUCTURE OF BOVINE HSC70(AA1-554)E213A/D214A IN COMPLEX WITH INHIBITOR VER155008

Method: X-RAY DIFFRACTION D_max: 98.7 Å Quality: REASONABLE

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

Heat shock cognate 71 kDa protein

Bos taurus

UniProt P19120

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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 1–554	Not recorded	TMO trimethylamine oxide × 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 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions：BATCH MODE；291 K；PEG 4000, TMAO, Glycerol	Resolution 2.02 Å R-free 0.258

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 6H54	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1ATR THREONINE 204 OF THE CHAPERONE PROTEIN HSC70 INFLUENCES THE STRUCTURE OF THE ACTIVE SITE BUT IS NOT ESSENTIAL FOR ATP HYDROLYSIS Deposited 1993-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.34 Å
1ATS THREONINE 204 OF THE CHAPERONE PROTEIN HSC70 INFLUENCES THE STRUCTURE OF THE ACTIVE SITE BUT IS NOT ESSENTIAL FOR ATP HYDROLYSIS Deposited 1993-08-09	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.43 Å
1BA0 HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL 1NGE 3 Deposited 1998-04-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa） Fragment：44KD ATPASE N-TERMINAL FRAGMENT	Mutation：D206K	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；20% PEG-8000 1.0M NACL 50MM CHES, PH 9 1MM MGATP, pH 9.0	Resolution 1.90 Å R-free 0.275
1BA1 HEAT-SHOCK COGNATE 70KD PROTEIN 44KD ATPASE N-TERMINAL MUTANT WITH CYS 17 REPLACED BY LYS Deposited 1998-04-21	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa） Fragment：44KD ATPASE N-TERMINAL FRAGMENT	Mutation：C17K	MG MAGNESIUM ION × 1 NA SODIUM ION × 1 CL CHLORIDE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；20% PEG-8000 1.0M NACL 50MM CHES, PH 9 1MM MGATP, pH 9.0	Resolution 1.70 Å R-free 0.244
1BUP T13S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN Deposited 1998-09-03	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa） Fragment：ATPASE FRAGMENT	Mutation：T13S	MG MAGNESIUM ION × 1 K POTASSIUM ION × 2 CL CHLORIDE ION × 2 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；pH 9.0	Resolution 1.70 Å R-free 0.220
1HPM HOW POTASSIUM AFFECTS THE ACTIVITY OF THE MOLECULAR CHAPERONE HSC70. II. POTASSIUM BINDS SPECIFICALLY IN THE ATPASE ACTIVE SITE Deposited 1995-03-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 K POTASSIUM ION × 2 CL CHLORIDE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.70 Å
1HX1 CRYSTAL STRUCTURE OF A BAG DOMAIN IN COMPLEX WITH THE HSC70 ATPASE DOMAIN Deposited 2001-01-11	Different construct Different oligomeric state 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：ATPASE 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
1KAX 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71M MUTANT Deposited 1996-04-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–381（381 aa） Fragment：ATPASE DOMAIN	Mutation：K71M	CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 K POTASSIUM ION × 3 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.70 Å R-free 0.264
1KAY 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71A MUTANT Deposited 1996-04-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–381（381 aa） Fragment：ATPASE DOMAIN	Mutation：K71A	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 K POTASSIUM ION × 3 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.70 Å R-free 0.243
1KAZ 70KD HEAT SHOCK COGNATE PROTEIN ATPASE DOMAIN, K71E MUTANT Deposited 1996-04-15	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–381（381 aa） Fragment：ATPASE DOMAIN	Mutation：K71E	MG MAGNESIUM ION × 1 K POTASSIUM ION × 3 CL CHLORIDE ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.70 Å R-free 0.234
1NGA STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.18 Å
1NGB STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.18 Å
1NGC STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.20 Å
1NGD STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.18 Å
1NGE STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.05 Å
1NGF STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.17 Å
1NGG STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.19 Å
1NGH STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.23 Å
1NGI STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	CA CALCIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.15 Å
1NGJ STRUCTURAL BASIS OF THE 70-KILODALTON HEAT SHOCK COGNATE PROTEIN ATP HYDROLYTIC ACTIVITY, II. STRUCTURE OF THE ACTIVE SITE WITH ADP OR ATP BOUND TO WILD TYPE AND MUTANT ATPASE FRAGMENT Deposited 1994-05-17	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.10 Å
1QQM D199S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN Deposited 1999-06-07	Different construct Different mutation/modification 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：HSC70 ATPASE FRAGMENT	Mutation：D199S	MG MAGNESIUM ION × 1 K POTASSIUM ION × 1 CL CHLORIDE ION × 2 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；277 K；POLYETHYLENE GLYCOL 8000, POTASSIUM CHLORIDE, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 4K	Resolution 1.90 Å R-free 0.234
1QQN D206S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN Deposited 1999-06-07	Different construct Different mutation/modification 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：HSC70 ATPASE FRAGMENT	Mutation：D206S	K POTASSIUM ION × 2 CL CHLORIDE ION × 2 MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；277 K；POLYETHYLENE GLYCOL 8000, POTASSIUM CHLORIDE, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 4K	Resolution 1.90 Å R-free 0.229
1QQO E175S MUTANT OF BOVINE 70 KILODALTON HEAT SHOCK PROTEIN Deposited 1999-06-07	Different construct Different mutation/modification 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）	Mutation：E175S	MG MAGNESIUM ION × 1 CL CHLORIDE ION × 2 K POTASSIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；277 K；POLYETHYLENE GLYCOL 8000, POTASSIUM CHLORIDE, pH 9, VAPOR DIFFUSION, HANGING DROP, temperature 4K	Resolution 1.90 Å R-free 0.239
1YUW crystal structure of bovine hsc70(aa1-554)E213A/D214A mutant Deposited 2005-02-14	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa）	Mutation：E213A, D214A	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 8；289 K；PEG8000,trimethyl amine oxide, pH 8.0, microbatch, temperature 289K	Resolution 2.60 Å R-free 0.297
2BUP T13G Mutant of the ATPASE fragment of Bovine HSC70 Deposited 1998-09-08	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–381（381 aa） Fragment：ATPASE	Mutation：T13G	PO4 PHOSPHATE ION × 1 MG MAGNESIUM ION × 1 K POTASSIUM ION × 2 CL CHLORIDE ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 9；pH 9.0	Resolution 1.70 Å R-free 0.224
2QW9 Crystal structure of bovine hsc70 (1-394aa)in the apo state Deposited 2007-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–394（394 aa）	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Calcium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 1.85 Å R-free 0.236
2QW9 Crystal structure of bovine hsc70 (1-394aa)in the apo state Deposited 2007-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–394（394 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Calcium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 1.85 Å R-free 0.236
2QWL Crystal structure of bovine hsc70 (1-394aa)in the ADP state Deposited 2007-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–394（394 aa）	Not recorded	MG MAGNESIUM ION × 1 NA SODIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Calcium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 1.75 Å R-free 0.209
2QWL Crystal structure of bovine hsc70 (1-394aa)in the ADP state Deposited 2007-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–394（394 aa）	Not recorded	MG MAGNESIUM ION × 1 NA SODIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Calcium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 1.75 Å R-free 0.209
2QWM Crystal structure of bovine hsc70 (1-394aa)in the ADP*Vi state Deposited 2007-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–394（394 aa）	Not recorded	MG MAGNESIUM ION × 1 NA SODIUM ION × 2 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Calcium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 1.86 Å R-free 0.224
2QWM Crystal structure of bovine hsc70 (1-394aa)in the ADP*Vi state Deposited 2007-08-10	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain B 1–394（394 aa）	Not recorded	MG MAGNESIUM ION × 1 NA SODIUM ION × 2 VO4 VANADATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Calcium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 1.86 Å R-free 0.224
2QWN Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-386aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi state Deposited 2007-08-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–394（394 aa）	Mutation：R171C	PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8；289 K；PEG3350, Ammonium Acetate, pH 8.0, microbatch under oil, temperature 289K	Resolution 2.40 Å R-free 0.279
2QWO Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #1 Deposited 2007-08-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–394（394 aa）	Mutation：R171C	PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACY ACETIC ACID × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8.5；289 K；PEG3350, Ammonium Acetate, pH 8.5, microbatch under oil, temperature 289K	Resolution 1.70 Å R-free 0.222
2QWP Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the ADP*Pi form #2 Deposited 2007-08-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–394（394 aa）	Mutation：R171C	PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 MG MAGNESIUM ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACY ACETIC ACID × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8.5；289 K；PEG3350, Ammonium Acetate, pH 8.5, microbatch under oil, temperature 289K	Resolution 1.75 Å R-free 0.243
2QWQ Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP hydrolyzed form Deposited 2007-08-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–394（394 aa）	Mutation：R171C	PO4 PHOSPHATE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1 ACY ACETIC ACID × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8.5；289 K；PEG3350, Ammonium Acetate, pH 8.5, microbatch under oil, temperature 289K	Resolution 2.21 Å R-free 0.295
2QWR Crystal structure of disulfide-bond-crosslinked complex of bovine hsc70 (1-394aa)R171C and bovine Auxilin (810-910aa)D876C in the AMPPNP intact form Deposited 2007-08-10	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–394（394 aa）	Mutation：R171C	ANP PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER × 1 ACY ACETIC ACID × 1 GOL GLYCEROL × 2	X-RAY DIFFRACTION X-ray crystallization conditions microbatch under oil；pH 8.5；289 K；PEG3350, Ammonium Acetate, pH 8.5, microbatch under oil, temperature 289K	Resolution 2.21 Å R-free 0.294
3C7N Structure of the Hsp110:Hsc70 Nucleotide Exchange Complex Deposited 2008-02-07	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–554（554 aa） Fragment：residues 1-554	Not recorded	MG MAGNESIUM ION × 2 SO4 SULFATE ION × 4 BEF BERYLLIUM TRIFLUORIDE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 2 CL CHLORIDE ION × 3	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；LiSO4, PEG 400, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 3.12 Å R-free 0.283
3HSC THREE-DIMENSIONAL STRUCTURE OF THE ATPASE FRAGMENT OF A 70K HEAT-SHOCK COGNATE PROTEIN Deposited 1995-03-24	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–386（386 aa）	Not recorded	MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 NA SODIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 1.93 Å
4FL9 Crystal Structure of bovine hsc70(aa1-554)E213A/D214A at 1.9A Resolution Deposited 2012-06-14	Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa） Fragment：UNP residues 1-554	Mutation：E213A, D214A	TMO trimethylamine oxide × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；291 K；PEG8000,TRIMETHYL AMINE OXIDE , pH 7.5, Microbatch, temperature 291K	Resolution 1.90 Å R-free 0.232
7O6R Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with 1H-Indazole Deposited 2021-04-12	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa）	Mutation：E213A, D214A	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 LZ1 1H-indazole × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 K POTASSIUM ION × 2 TMO trimethylamine oxide × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；291 K；PEG 8000, TMAO, potassium chloride, HEPES-NaOH, glycerol	Resolution 2.00 Å R-free 0.244
7ODB Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with triazine-derivative Deposited 2021-04-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa）	Mutation：E213A, D214A	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 K POTASSIUM ION × 2 GOL GLYCEROL × 3 V8Q 6-methyl-5-sulfanylidene-2H-1,2,4-triazin-3-one × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；291 K；PEG 8000, TMAO. potassium chloride, HEPES-NaOH, glycerol	Resolution 1.66 Å R-free 0.208
7ODD Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with tricine Deposited 2021-04-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa）	Mutation：E213A, D214A	GOL GLYCEROL × 3 VLS N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]glycine × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 K POTASSIUM ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；291 K；PEG 8000, TMAO, HEPES-NaOH, glycerol	Resolution 1.98 Å R-free 0.245
7ODI Crystal structure of bovine Hsc70(aa1-554)E213A/D214A in complex with methanesulfonamide Deposited 2021-04-29	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa）	Mutation：E213A, D214A	EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 V7Z methanesulfonamide × 2 GOL GLYCEROL × 2 NA SODIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；291 K；PEG 8000, TMAO, HEPES-NaOH, glycerol	Resolution 1.83 Å R-free 0.245
7PLK Crystal structure bovine Hsc70(aa1-554)E213A/D214A in complex with nicotinic-acid-derivative Deposited 2021-08-31	Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–554（554 aa）	Mutation：E213A, D214A	7UE 5-pyrrol-1-ylpyridine-3-carboxylic acid × 1 K POTASSIUM ION × 1 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions MICROBATCH；pH 7.5；291 K；PEG 8000, TMAO, potassium chloride, HEPES-NaOH, glycerol	Resolution 2.49 Å R-free 0.286

41 other PDB entries and 44 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	HSP7C_BOVIN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–554； UniProt 1–554

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

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

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

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	6h54
Deposition date deposition_date	2018-07-23
Structure title title	CRYSTAL STRUCTURE OF BOVINE HSC70(AA1-554)E213A/D214A IN COMPLEX WITH INHIBITOR VER155008
Keywords keywords	Chaperone, Hsc70, Vernalis inhibitor; CHAPERONE
Experimental Method method	X-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier	28.64 Å
Radius of gyration Rg (electron density) rg_electron	28.29 Å
Forward intensity I(0) i0	60227600.00
Molecular weight molecular_weight	60114.0 kDa
Excluded volume excluded_volume	75101 Å³
Envelope volume envelope_volume	93583 Å³
Hydration-shell volume shell_volume	29273 Å³
Envelope diameter envelope_diameter	104.3 Å
Shell Rg shell_rg	33.59 Å
Envelope Rg envelope_rg	28.41 Å
Shape Rg shape_rg	28.29 Å
Total Rg total_rg	28.84 Å
Total atoms total_atoms	4225
Residues n_residues	539
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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

Maximum dimension Dmax dmax	98.7 Å
Rg (real space) rg_real	28.79 Å
Rg uncertainty (real space) rg_real_error	0.81 Å
I(0) (real space) i0_real	6.0230e+07
I(0) uncertainty (real space) i0_real_error	8.9870e+05
Rg (reciprocal space) rg_reciprocal	28.73 Å
I(0) (reciprocal space) i0_reciprocal	60220000.0000
Solution quality estimate total_estimate	0.6570
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	1
Primary peak position r_peak_primary	30.5 Å
Skewness Skewness skewness	0.533
Kurtosis Kurtosis kurtosis	-0.150
Angular range angular_range	— – 0.2750 Å⁻¹
Current regularization parameter α current_alpha	0.0001
Highest regularization parameter α highest_alpha	12860000.0000
Real-space data points n_real_points	56
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.779; Stabil: 1.000; Sysdev: 0.156; Positv: 1.000; Valcen: 0.832; Smooth: 0.902

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (6)

Entity 1 Entity 1 polymer

Description description	Heat shock cognate 71 kDa protein
Molecular weight formula_weight	60978.9 kDa
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	4454

MSKGPAVGIDLGTTYSCVGVFQHGKVEIIANDQGNRTTPSYVAFTDTERLIGDAAKNQVAMNPTNTVFDAKRLIGRRFDDAVVQSDMKHWPFMVVNDAGRPKVQVEYKGETKSFYPEEVSSMVLTKMKEIAEAYLGKTVTNAVVTVPAYFNDSQRQATKDAGTIAGLNVLRIINEPTAAAIAYGLDKKVGAERNVLIFDLGGGTFDVSILTIAAGIFEVKSTAGDTHLGGEDFDNRMVNHFIAEFKRKHKKDISENKRAVRRLRTACERAKRTLSSSTQASIEIDSLYEGIDFYTSITRARFEELNADLFRGTLDPVEKALRDAKLDKSQIHDIVLVGGSTRIPKIQKLLQDFFNGKELNKSINPDEAVAYGAAVQAAILSGDKSENVQDLLLLDVTPLSLGIETAGGVMTVLIKRNTTIPTKQTQTFTTYSDNQPGVLIQVYEGERAMTKDNNLLGKFELTGIPPAPRGVPQIEVTFDIDANGILNVSAVDKSTGKENKITITNDKGRLSKEDIERMVQEAEKYKAEDEKQRDKVSSKNSLESYAFNMKATVE

来源 Source

来源生物 organism	Bos taurus
通用名 common_name	cattle
NCBI Class编号 ncbi_taxonomy_id	9913
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 non-polymer

Description description	trimethylamine oxide
Molecular weight formula_weight	75.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 3 Entity 3 non-polymer

Description description	4-[[(2R,3S,4R,5R)-5-[6-amino-8-[(3,4-dichlorophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-oxolan-2-yl]methoxymethyl]benzonitrile
Molecular weight formula_weight	556.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID
Molecular weight formula_weight	238.3 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 non-polymer

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

Entity 6 Entity 6 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	229

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7. Fold Classification (SCOP + CATH) 5 domains

CATH v4.4 (5 domains)

Domain ID domain_id	6h54A01
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

Domain ID domain_id	6h54A02
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	30 — Defensin A-like
Homologous superfamily homologous superfamily	30 —

Domain ID domain_id	6h54A03
Class class	3 — Alpha Beta
Architecture architecture	30 — 2-Layer Sandwich
Topology topology	420 — Nucleotidyltransferase; domain 5
Homologous superfamily homologous superfamily	40 — ATPase, nucleotide binding domain

Domain ID domain_id	6h54A04
Class class	3 — Alpha Beta
Architecture architecture	90 — Alpha-Beta Complex
Topology topology	640 — Actin; Chain A, domain 4
Homologous superfamily homologous superfamily	10 — ATPase, substrate binding domain, subdomain 4

Domain ID domain_id	6h54A05
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily	10 — Substrate Binding Domain Of DNAk; Chain A, domain 1

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8. Citations (1)

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Unit-cell length a length_a	66.190 Å
Unit-cell length b length_b	49.340 Å
Unit-cell length c length_c	86.960 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	99.80 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

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

Resolution resolution	2.020 Å
Low-resolution limit resolution_low	56.765 Å
R factor r_factor	0.2224
R_work r_work	0.2205
R_free r_free	0.2584

fit	/app/data/saxs_computation/h5/6h54/6h54.fit
pddf	/app/data/pr_computation/h5/6h54/6h54.pr.out
profile	/app/data/saxs_computation/h5/6h54/6h54.dat