SAXSdb — 4po2

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

Heat shock 70 kDa protein 1A/1B

Homo sapiens

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 A； UniProt 386–613	Fragment：C-TERMINAL SUBSTRATE-BINDING DOMAIN	HSP70 substrate peptide × 1 SO4 SULFATE ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris (pH 5.5), 0.2M Li2SO4, 28~30% PEG3350 in the reservoir and 0.1M Bis-Tris (pH 5.5), 0.2M Li2SO4, 22~25% PEG3350 in the crystallization drop, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.222
2	Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain B； UniProt 386–613	Fragment：C-TERMINAL SUBSTRATE-BINDING DOMAIN	HSP70 substrate peptide × 1 SO4 SULFATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris (pH 5.5), 0.2M Li2SO4, 28~30% PEG3350 in the reservoir and 0.1M Bis-Tris (pH 5.5), 0.2M Li2SO4, 22~25% PEG3350 in the crystallization drop, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.222
3	Protein heterocomplex Heteromer Protein × 8 PDB declaration: octameric（8） Consistent with protein copy count	Chain A； UniProt 386–613 Chain B； UniProt 386–613	Fragment：C-TERMINAL SUBSTRATE-BINDING DOMAIN	HSP70 substrate peptide × 4 SO4 SULFATE ION × 4 PO4 PHOSPHATE ION × 2	X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；0.1M Bis-Tris (pH 5.5), 0.2M Li2SO4, 28~30% PEG3350 in the reservoir and 0.1M Bis-Tris (pH 5.5), 0.2M Li2SO4, 22~25% PEG3350 in the crystallization drop, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K	Resolution 2.00 Å R-free 0.222

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 4PO2	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1HJO ATPase domain of human heat shock 70kDa protein 1 Deposited 1998-10-13	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 3–382（380 aa） Fragment：42KD ATPASE N-TERMINAL FRAGMENT	Not recorded	CA CALCIUM ION × 1 CL CHLORIDE ION × 1 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions pH 7；8% PEG-8000 25 MM IMIDAZOLE, PH 7.0 20MM CACL2 1MM GAMMA-S-ATP	Resolution 2.30 Å R-free 0.253
1S3X The crystal structure of the human Hsp70 ATPase domain Deposited 2004-01-14	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 1–382（382 aa） Fragment：ATPASE DOMAIN	Not recorded	PO4 PHOSPHATE ION × 1 CA CALCIUM ION × 2 NA SODIUM ION × 2 ADP ADENOSINE-5'-DIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；imidazole buffer, PEG 8000, CaCl2, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K	Resolution 1.84 Å R-free 0.219
1XQS Crystal structure of the HspBP1 core domain complexed with the fragment of Hsp70 ATPase domain Deposited 2004-10-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain C 184–371（188 aa） Fragment：LOBE II OF ATPASE DOMAIN (184-371)	Not recorded	AMP ADENOSINE MONOPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG8000, Potassium chloride, Magnesium chloride, AMP-PNP, DTT, HEPES KOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.90 Å R-free 0.296
1XQS Crystal structure of the HspBP1 core domain complexed with the fragment of Hsp70 ATPase domain Deposited 2004-10-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 184–371（188 aa） Fragment：LOBE II OF ATPASE DOMAIN (184-371)	Not recorded	AMP ADENOSINE MONOPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；PEG8000, Potassium chloride, Magnesium chloride, AMP-PNP, DTT, HEPES KOH, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.90 Å R-free 0.296
2LMG Solution Structure of The C-terminal Domain (537-610) of Human Heat Shock Protein 70 Deposited 2011-12-01	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 537–610（74 aa） Fragment：UNP residues 537-610	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 6.5；298 K；Pressure ambient NMR sample composition 1 mM [U-100% 15N] protein-1, 20 mM sodium phosphate-2, 50 mM sodium chloride-3, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein-4, 20 mM sodium phosphate-5, 50 mM sodium chloride-6, 90% H2O/10% D2O \| 90% H2O/10% D2O NMR sample composition 1 mM [U-100% 13C; U-100% 15N] protein-7, 20 mM sodium phosphate-8, 50 mM sodium chloride-9, 100% D2O \| 100% D2O	Resolution not provided
3A8Y Crystal structure of the complex between the BAG5 BD5 and Hsp70 NBD Deposited 2009-10-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain A 1–388（388 aa） Fragment：Nucleotide-binding domain, UNP residues 1-388	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；293 K；0.1M Tris-HCL, 0.25M Trimethylamine n-oxide, 20% PEG MME 2000, 3% Hexanediol , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.30 Å R-free 0.281
3A8Y Crystal structure of the complex between the BAG5 BD5 and Hsp70 NBD Deposited 2009-10-13	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–388（388 aa） Fragment：Nucleotide-binding domain, UNP residues 1-388	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；293 K；0.1M Tris-HCL, 0.25M Trimethylamine n-oxide, 20% PEG MME 2000, 3% Hexanediol , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K	Resolution 2.30 Å R-free 0.281
3ATU Crystal structure of human Hsp70 NBD in the ADP- and Mg ion-bound state Deposited 2011-01-13	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 1–388（388 aa） Fragment：Nucleotide-binding domain (UNP RESIDUES 1-388)	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 MG MAGNESIUM ION × 1 NA SODIUM ION × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；293 K；0.1M HEPES-NaOH (pH 7.0), 0.15M MgCl2, 30 % PEG MME 500, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.65 Å R-free 0.218
3ATV Crystal structure of human Hsp70 NBD in the ADP-bound and Mg ion-free state Deposited 2011-01-13	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 1–388（388 aa） Fragment：Nucleotide-binding domain (UNP RESIDUES 1-388)	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 K POTASSIUM ION × 1 CL CHLORIDE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；293 K；0.1M Bis-Tris (pH 5.5), 0.25M KNO3, 25% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.58 Å R-free 0.208
3AY9 Crystal structure of human Hsp70 NBD in the ADP-, Mg ion-, and K ion-bound state Deposited 2011-05-03	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 1–388（388 aa） Fragment：nucleotide-binding domain (UNP RESIDUES 1-388)	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 PO4 PHOSPHATE ION × 1 MG MAGNESIUM ION × 1 K POTASSIUM ION × 1 CL CHLORIDE ION × 1 CA CALCIUM ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.7；293 K；0.05M calcium chloride, 0.1M bis-tris (pH6.5), 30% PEG MME 550, pH 5.7, VAPOR DIFFUSION, SITTING DROP, temperature 293K	Resolution 1.75 Å R-free 0.213
3D2E Crystal structure of a complex of Sse1p and Hsp70, Selenomethionine-labeled crystals Deposited 2008-05-08	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 B 1–382（382 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；17 % (w/v) polyethyleneglycol-6000, 50 mM KCl, 100 mM HEPES-KOH pH 7.5, vapor diffusion, temperature 277K	Resolution 2.35 Å R-free 0.262
3D2E Crystal structure of a complex of Sse1p and Hsp70, Selenomethionine-labeled crystals Deposited 2008-05-08	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 1–382（382 aa）	Non-standard monomer：Yes (specific site not provided by mmCIF)	MG MAGNESIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；277 K；17 % (w/v) polyethyleneglycol-6000, 50 mM KCl, 100 mM HEPES-KOH pH 7.5, vapor diffusion, temperature 277K	Resolution 2.35 Å R-free 0.262
3D2F Crystal structure of a complex of Sse1p and Hsp70 Deposited 2008-05-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain B 1–382（382 aa）	Not recorded	MG MAGNESIUM ION × 3 K POTASSIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8；277 K；15 % (w/v) polyethyleneglycol-6000, 100 mM Tris-HCl pH 8.0, 10 mM DTT, VAPOR DIFFUSION, temperature 277K	Resolution 2.30 Å R-free 0.244
3D2F Crystal structure of a complex of Sse1p and Hsp70 Deposited 2008-05-08	Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain D 1–382（382 aa）	Not recorded	MG MAGNESIUM ION × 3 K POTASSIUM ION × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION；pH 8；277 K；15 % (w/v) polyethyleneglycol-6000, 100 mM Tris-HCl pH 8.0, 10 mM DTT, VAPOR DIFFUSION, temperature 277K	Resolution 2.30 Å R-free 0.244
3JXU Crystal structure of the human 70kDa heat shock protein 1A (Hsp70-1) ATPase domain in complex with ADP and inorganic phosphate Deposited 2009-09-21	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 1–387（387 aa） Fragment：ATPase domain, UNP resiudes 1-387	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；0.2M magnesium chloride hexahydrate, 0.1M bis-tris, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K	Resolution 2.14 Å R-free 0.262
3LOF C-terminal domain of human heat shock 70kDa protein 1B. Deposited 2010-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 534–641（108 aa） Fragment：C-terminal domain Chain B 534–641（108 aa） Fragment：C-terminal domain	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；2.4 M sodium malonate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.40 Å R-free 0.235
3LOF C-terminal domain of human heat shock 70kDa protein 1B. Deposited 2010-02-03	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain C 534–641（108 aa） Fragment：C-terminal domain Chain D 534–641（108 aa） Fragment：C-terminal domain	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；2.4 M sodium malonate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.40 Å R-free 0.235
3LOF C-terminal domain of human heat shock 70kDa protein 1B. Deposited 2010-02-03	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 E 534–641（108 aa） Fragment：C-terminal domain Chain F 534–641（108 aa） Fragment：C-terminal domain	Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF)	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；294 K；2.4 M sodium malonate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 294K	Resolution 2.40 Å R-free 0.235
4J8F Crystal structure of a fusion protein containing the NBD of Hsp70 and the middle domain of Hip Deposited 2013-02-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Insufficient information Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 1–382（382 aa） Fragment：P08107 residues 1-382, P50503 residues 77-247	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 2 MG MAGNESIUM ION × 2 PO4 PHOSPHATE ION × 2 IOD IODIDE ION × 34	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；17 % PEG-3350 and 0.2 M NH4I, pH 7.4, vapor diffusion, hanging drop, temperature 291K	Resolution 2.70 Å R-free 0.261
4J8F Crystal structure of a fusion protein containing the NBD of Hsp70 and the middle domain of Hip Deposited 2013-02-14	Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–382（382 aa） Fragment：P08107 residues 1-382, P50503 residues 77-247	Not recorded	ADP ADENOSINE-5'-DIPHOSPHATE × 1 MG MAGNESIUM ION × 1 PO4 PHOSPHATE ION × 1 IOD IODIDE ION × 17	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.4；291 K；17 % PEG-3350 and 0.2 M NH4I, pH 7.4, vapor diffusion, hanging drop, temperature 291K	Resolution 2.70 Å R-free 0.261
4WV5 HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN Deposited 2014-11-04	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 395–543（149 aa） Fragment：unp residues 395-543	Not recorded	GOL GLYCEROL × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；294 K；11 mg/ml protein in 25mM Tris-HCl, 150 mM NaCl, 1 mM TCEP was mixed 1:1 with reservior solution containing 0.1 M Sodium Acetate, pH 4.5, 2M Ammonium Sulfate	Resolution 2.04 Å R-free 0.224
4WV5 HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN Deposited 2014-11-04	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 395–543（149 aa） Fragment：unp residues 395-543	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；294 K；11 mg/ml protein in 25mM Tris-HCl, 150 mM NaCl, 1 mM TCEP was mixed 1:1 with reservior solution containing 0.1 M Sodium Acetate, pH 4.5, 2M Ammonium Sulfate	Resolution 2.04 Å R-free 0.224
4WV7 HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE Deposited 2014-11-04	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 395–543（149 aa） Fragment：unp residues 395-543	Not recorded	3UM (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；294 K；10 mg/ml covalently modified protein in 25 mM Tris-HCl, 50 mM NaCl, 1 mM TCEP was mixed 1:1 with reservior solution containing 0.1 M HEPES, pH 7.0, 70% 2-methyl-2,4-pentanediol	Resolution 2.42 Å R-free 0.272
4WV7 HEAT SHOCK PROTEIN 70 SUBSTRATE BINDING DOMAIN WITH COVALENTLY LINKED NOVOLACTONE Deposited 2014-11-04	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 395–543（149 aa） Fragment：unp residues 395-543	Not recorded	3UM (5beta,6alpha,8alpha,14alpha)-13-ethenyl-5,6-dihydroxy-14-methylpodocarp-12-en-15-oic acid × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；294 K；10 mg/ml covalently modified protein in 25 mM Tris-HCl, 50 mM NaCl, 1 mM TCEP was mixed 1:1 with reservior solution containing 0.1 M HEPES, pH 7.0, 70% 2-methyl-2,4-pentanediol	Resolution 2.42 Å R-free 0.272

15 other PDB entries and 24 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	HSP71_HUMAN
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 8–235； UniProt 386–613 Author chain B； PDBConstruct 8–235； UniProt 386–613

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	4po2
Deposition date deposition_date	2014-02-24
Structure title title	Crystal Structure of the Stress-Inducible Human Heat Shock Protein HSP70 Substrate-Binding Domain in Complex with Peptide Substrate
Keywords keywords	HELICAL BUNDLE, CHAPERONE, SUBSTRATE BINDING; 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	25.71 Å
Radius of gyration Rg (electron density) rg_electron	24.76 Å
Forward intensity I(0) i0	43472400.00
Molecular weight molecular_weight	49945.0 kDa
Excluded volume excluded_volume	62183 Å³
Envelope volume envelope_volume	81462 Å³
Hydration-shell volume shell_volume	27328 Å³
Envelope diameter envelope_diameter	79.5 Å
Shell Rg shell_rg	32.10 Å
Envelope Rg envelope_rg	24.41 Å
Shape Rg shape_rg	24.78 Å
Total Rg total_rg	25.53 Å
Total atoms total_atoms	3494
Residues n_residues	456
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	76.5 Å
Rg (real space) rg_real	25.55 Å
Rg uncertainty (real space) rg_real_error	0.35 Å
I(0) (real space) i0_real	4.3470e+07
I(0) uncertainty (real space) i0_real_error	5.5060e+05
Rg (reciprocal space) rg_reciprocal	25.60 Å
I(0) (reciprocal space) i0_reciprocal	43470000.0000
Solution quality estimate total_estimate	0.9147
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	35.8 Å
Skewness Skewness skewness	0.040
Kurtosis Kurtosis kurtosis	-0.615
Angular range angular_range	— – 0.3100 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	7158000.0000
Real-space data points n_real_points	63
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.971; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.980

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Heat shock 70 kDa protein 1A/1B
Molecular weight formula_weight	26278.7 kDa
Source method src_method	man
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A,B
Atom count atom_count	4120

MHHHHHHENVQDLLLLDVAPLSLGLETAGGVMTALIKRNSTIPTKQTQIFTTYSDNQPGVLIQVYEGERAMTKDNNLLGRFELSGIPPAPRGVPQIEVTFDIDANGILNVTATDKSTGKANKITITNDKGRLSKEEIERMVQEAEKYKAEDEVQRERVSAKNALESYAFNMKSAVEDEGLKGKISEADKKKVLDKCQEVISWLDANTLAEKDEFEHKRKELEQVCNPIISGLYQG

来源 Source

来源生物 organism	Homo sapiens
通用名 common_name	human
NCBI Class编号 ncbi_taxonomy_id	9606
宿主生物 host_organism	Escherichia coli

Entity 2 Entity 2 polymer

Description description	HSP70 substrate peptide
Molecular weight formula_weight	786.9 kDa
Source method src_method	syn
Copy count entity_count	2

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	C,D

NRLLLTG

Entity 3 Entity 3 non-polymer

Description description	SULFATE ION
Molecular weight formula_weight	96.1 kDa
Source method src_method	syn
Copy count entity_count	2

Entity 4 Entity 4 non-polymer

Description description	PHOSPHATE ION
Molecular weight formula_weight	95.0 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	558

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7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

Domain ID domain_id	4po2A01
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

Domain ID domain_id	4po2A02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily	10 —

Domain ID domain_id	4po2B01
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

Domain ID domain_id	4po2B02
Class class	1 — Mainly Alpha
Architecture architecture	20 — Up-down Bundle
Topology topology	1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily	10 —

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8. Citations (1)

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Unit-cell length a length_a	100.293 Å
Unit-cell length b length_b	85.282 Å
Unit-cell length c length_c	72.199 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	126.97 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	2.000 Å
Low-resolution limit resolution_low	42.641 Å
R factor r_factor	0.1769
R_work r_work	0.1746
R_free r_free	0.2215

fit	/app/data/saxs_computation/po/4po2/4po2.fit
pddf	/app/data/pr_computation/po/4po2/4po2.pr.out
profile	/app/data/saxs_computation/po/4po2/4po2.dat

Crystal Structure of the Stress-Inducible Human Heat Shock Protein HSP70 Substrate-Binding Domain in Complex with Peptide Substrate

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

Heat shock 70 kDa protein 1A/1B

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

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

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

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

7. Fold Classification (SCOP + CATH) 4 domains

CATH v4.4 (4 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)