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4ezw

Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLLLTG

Method: X-RAY DIFFRACTION Dmax: 143.1 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

Chaperone protein DnaK

Escherichia coli

UniProt P0A6Y8

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 389–607 Fragment：UNP residues 389-607 synthetic peptide NRLLLTG × 1 SO4 SULFATE ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 4.1；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.80 Å R-free 0.226
2 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 389–607 Fragment：UNP residues 389-607 synthetic peptide NRLLLTG × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 4.1；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.80 Å R-free 0.226
3 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain C； UniProt 389–607 Fragment：UNP residues 389-607 synthetic peptide NRLLLTG × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 4.1；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.80 Å R-free 0.226
4 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain D； UniProt 389–607 Fragment：UNP residues 389-607 synthetic peptide NRLLLTG × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 4.1；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K Resolution 1.80 Å R-free 0.226

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 4EZW Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1BPR NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, MINIMIZED AVERAGE STRUCTURE Deposited 1998-08-11 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 379–560（182 aa） Fragment：SUBSTRATE BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 50 mM INORGANIC PHOSPHATE；Pressure 1
NMR sample composition H2O AND D2O
Resolution not provided
1DG4 NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK IN THE APO FORM Deposited 1999-11-23 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 393–507（115 aa） Fragment：SUBSTRATE BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 6.8；303 K；Ionic strength (raw mmCIF value) 10mM NA PHOSPHATE；Pressure AMBIENT
NMR measurement conditions pH 6.8；303 K；Ionic strength (raw mmCIF value) 10mM NA PHOSPHATE；Pressure AMBIENT
NMR measurement conditions pH 6.8；303 K；Ionic strength (raw mmCIF value) 10mM NA PHOSPHATE；Pressure AMBIENT
NMR measurement conditions pH 6.8；303 K；Ionic strength (raw mmCIF value) 10mM NA PHOSPHATE；Pressure AMBIENT
NMR sample composition 1MM U15N; 10MM PHOSPHATE BUFFER NA
NMR sample composition 1MM U15N,13C; 10MM PHOSPHATE BUFFER NA
NMR sample composition 1MM U15N,13C; 10MM PHOSPHATE BUFFER NA
NMR sample composition 1MM 10% 13C; 10MM PHOSPHATE BUFFER NA
Resolution not provided
1DKX THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 SELENOMETHIONYL CRYSTALS Deposited 1996-06-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 388–606（219 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.288
1DKX THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 SELENOMETHIONYL CRYSTALS Deposited 1996-06-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 388–606（219 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.288
1DKY THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 2 NATIVE CRYSTALS Deposited 1996-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 388–606（219 aa） Fragment：SUBSTRATE BINDING DOMAIN
Chain B 388–606（219 aa） Fragment：SUBSTRATE BINDING DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.309
1DKY THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 2 NATIVE CRYSTALS Deposited 1996-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 388–606（219 aa） Fragment：SUBSTRATE BINDING DOMAIN
Chain B 388–606（219 aa） Fragment：SUBSTRATE BINDING DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.309
1DKY THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 2 NATIVE CRYSTALS Deposited 1996-06-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 388–606（219 aa） Fragment：SUBSTRATE BINDING DOMAIN
Chain B 388–606（219 aa） Fragment：SUBSTRATE BINDING DOMAIN
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.80 Å R-free 0.309
1DKZ THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 NATIVE CRYSTALS Deposited 1996-06-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 388–606（219 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.274
1DKZ THE SUBSTRATE BINDING DOMAIN OF DNAK IN COMPLEX WITH A SUBSTRATE PEPTIDE, DETERMINED FROM TYPE 1 NATIVE CRYSTALS Deposited 1996-06-03 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 388–606（219 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.00 Å R-free 0.274
1Q5L NMR structure of the substrate binding domain of DnaK bound to the peptide NRLLLTG Deposited 2003-08-08 Different construct Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 392–506（115 aa） Fragment：substrate binding domain
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.4；303 K；Ionic strength (raw mmCIF value) 10 mM sodium phosphate；Pressure ambient
NMR sample composition 0.66 mM DnaK(393-507); 3.3 mM NRLLLTG; 10 mM sodium phosphate buffer, pH 7.4 | 90% H2O/10% D2O
Resolution not provided
2BPR NMR STRUCTURE OF THE SUBSTRATE BINDING DOMAIN OF DNAK, 25 STRUCTURES Deposited 1998-08-11 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 379–560（182 aa） Fragment：SUBSTRATE BINDING DOMAIN
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7；298 K；Ionic strength (raw mmCIF value) 50 mM INORGANIC PHOSPHATE；Pressure 1
NMR sample composition H2O AND D2O
Resolution not provided
2KHO NMR-RDC / XRAY structure of E. coli HSP70 (DNAK) chaperone (1-605) complexed with ADP and substrate Deposited 2009-04-10 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 1–605（605 aa）
Not recorded No recorded non-water small molecule SOLUTION NMR
NMR measurement conditions pH 7.2；300 K；Ionic strength (raw mmCIF value) 0.05；Pressure AMBIENT
NMR sample composition 0.2 MM [U-100% 13C U-100% 15N U-80% 2H] HSP70, 10 MM POTASSIUM CHLORIDE, 25 MM TRIS, 10 MM DTT, 5 MM MGCL2, 5 MM ADP, 10 MM POTASSIUM PHOSPHATE, 0.2 MM SODIUM AZIDE, 2 MM NRLLLTG, 90% H2O/ 10% D2O | 90% H2O/10% D2O
Resolution not provided
3DPO Crystal structure of the substrate binding domain of E. coli DnaK in complex with a short pyrrhocoricin-derived inhibitor peptide Deposited 2008-07-09 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Chain B 389–607（219 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.10 Å R-free 0.241
3DPO Crystal structure of the substrate binding domain of E. coli DnaK in complex with a short pyrrhocoricin-derived inhibitor peptide Deposited 2008-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.10 Å R-free 0.241
3DPO Crystal structure of the substrate binding domain of E. coli DnaK in complex with a short pyrrhocoricin-derived inhibitor peptide Deposited 2008-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid, pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.10 Å R-free 0.241
3DPP Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A) Deposited 2008-07-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：substrate binding domain (UNP residues 389 to 607)
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.316
3DPP Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form A) Deposited 2008-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：substrate binding domain (UNP residues 389 to 607)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.50 Å R-free 0.316
3DPQ Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B) Deposited 2008-07-09 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 389–601（213 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.319
3DPQ Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B) Deposited 2008-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 389–601（213 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.319
3DPQ Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B) Deposited 2008-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–601（213 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.319
3DPQ Crystal structure of the substrate binding domain of E. coli DnaK in complex with a long pyrrhocoricin-derived inhibitor peptide (form B) Deposited 2008-07-09 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–601（213 aa） Fragment：Substrate binding domain (UNP residues 389 to 607)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5；293 K；2.4 M ammonium sulfate, 100 mM citric acid , pH 5.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.60 Å R-free 0.319
3QNJ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the antimicrobial peptide oncocin Deposited 2011-02-08 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.28 Å R-free 0.284
3QNJ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the antimicrobial peptide oncocin Deposited 2011-02-08 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.28 Å R-free 0.284
3QNJ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the antimicrobial peptide oncocin Deposited 2011-02-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.28 Å R-free 0.284
4B9Q Open conformation of ATP-bound Hsp70 homolog DnaK Deposited 2012-09-06 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 1–605（605 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.6；291 K；28% PEG4000, 5% GLYCEROL, 0.1 M AMMONIUM ACETATE, 0.085 M SODIUM CITRATE PH 5.6, 5 MM ATP, 10 MM MGCL2, 291 K
Resolution 2.40 Å R-free 0.239
4B9Q Open conformation of ATP-bound Hsp70 homolog DnaK Deposited 2012-09-06 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 1–605（605 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.6；291 K；28% PEG4000, 5% GLYCEROL, 0.1 M AMMONIUM ACETATE, 0.085 M SODIUM CITRATE PH 5.6, 5 MM ATP, 10 MM MGCL2, 291 K
Resolution 2.40 Å R-free 0.239
4B9Q Open conformation of ATP-bound Hsp70 homolog DnaK Deposited 2012-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–605（605 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.6；291 K；28% PEG4000, 5% GLYCEROL, 0.1 M AMMONIUM ACETATE, 0.085 M SODIUM CITRATE PH 5.6, 5 MM ATP, 10 MM MGCL2, 291 K
Resolution 2.40 Å R-free 0.239
4B9Q Open conformation of ATP-bound Hsp70 homolog DnaK Deposited 2012-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–605（605 aa）
Mutation：YES Non-standard monomer：Yes (specific site not provided by mmCIF) ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.6；291 K；28% PEG4000, 5% GLYCEROL, 0.1 M AMMONIUM ACETATE, 0.085 M SODIUM CITRATE PH 5.6, 5 MM ATP, 10 MM MGCL2, 291 K
Resolution 2.40 Å R-free 0.239
4E81 Crystal structure of the substrate binding domain of E.coli DnaK in complex with a short apidaecin peptide Deposited 2012-03-19 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；2.7 M ammonium sulfate, 0.1 M MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.259
4E81 Crystal structure of the substrate binding domain of E.coli DnaK in complex with a short apidaecin peptide Deposited 2012-03-19 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；2.7 M ammonium sulfate, 0.1 M MES, pH 6, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.259
4EZN Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.238
4EZN Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.238
4EZN Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.238
4EZO Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-39 (residues 1 to 15) Deposited 2012-05-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.240
4EZO Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-39 (residues 1 to 15) Deposited 2012-05-03 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.240
4EZO Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-39 (residues 1 to 15) Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.240
4EZP Crystal structure of the substrate binding domain of E.coli DnaK in complex with A3-APO(residues 1 to 20) Deposited 2012-05-03 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.65 Å R-free 0.242
4EZP Crystal structure of the substrate binding domain of E.coli DnaK in complex with A3-APO(residues 1 to 20) Deposited 2012-05-03 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.65 Å R-free 0.242
4EZP Crystal structure of the substrate binding domain of E.coli DnaK in complex with A3-APO(residues 1 to 20) Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.65 Å R-free 0.242
4EZP Crystal structure of the substrate binding domain of E.coli DnaK in complex with A3-APO(residues 1 to 20) Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.65 Å R-free 0.242
4EZQ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of pyrrhocoricin (residues 12 to 20) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.2 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.321
4EZQ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of pyrrhocoricin (residues 12 to 20) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.2 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.321
4EZQ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of pyrrhocoricin (residues 12 to 20) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.2 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.321
4EZQ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of pyrrhocoricin (residues 12 to 20) Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.2 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.321
4EZR Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of drosocin (residues 12 to 19) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.290
4EZR Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of drosocin (residues 12 to 19) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.290
4EZR Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of drosocin (residues 12 to 19) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.290
4EZR Crystal structure of the substrate binding domain of E.coli DnaK in complex with the C-terminal part of drosocin (residues 12 to 19) Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.290
4EZS Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26) Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.2 M ammonium sulfate 0.1 M tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.256
4EZS Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26) Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.2 M ammonium sulfate 0.1 M tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.256
4EZS Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26) Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.2 M ammonium sulfate 0.1 M tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.256
4EZS Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26) Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.2 M ammonium sulfate 0.1 M tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.256
4EZS Crystal structure of the substrate binding domain of E.coli DnaK in complex with metchnikowin (residues 20 to 26) Deposited 2012-05-03 Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.2 M ammonium sulfate 0.1 M tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.256
4EZT Crystal structure of the substrate binding domain of E.coli DnaK in complex with heliocin (residues 14 to 21) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；3.2 M ammonium sulfate, 0.1 M imidazole pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.271
4EZT Crystal structure of the substrate binding domain of E.coli DnaK in complex with heliocin (residues 14 to 21) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；3.2 M ammonium sulfate, 0.1 M imidazole pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.271
4EZT Crystal structure of the substrate binding domain of E.coli DnaK in complex with heliocin (residues 14 to 21) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；3.2 M ammonium sulfate, 0.1 M imidazole pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.271
4EZT Crystal structure of the substrate binding domain of E.coli DnaK in complex with heliocin (residues 14 to 21) Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；292 K；3.2 M ammonium sulfate, 0.1 M imidazole pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.00 Å R-free 0.271
4EZU Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222 Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.0 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.276
4EZU Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222 Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.0 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.276
4EZU Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222 Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.0 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.276
4EZU Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group I222 Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；3.0 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.276
4EZV Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212 Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；2.8 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.259
4EZV Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212 Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；2.8 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.259
4EZV Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212 Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；2.8 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.259
4EZV Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212 Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；2.8 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.259
4EZV Crystal structure of the substrate binding domain of E.coli DnaK in complex with PR-bombesin in space group P21212 Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8；292 K；2.8 M ammonium sulfate, 0.1 M HEPES pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.10 Å R-free 0.259
4EZX Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLMLTG Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.1 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.209
4EZX Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLMLTG Deposited 2012-05-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.1 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.209
4EZX Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLMLTG Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.1 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.209
4EZX Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLMLTG Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.1 M ammonium sulfate, 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.209
4EZY Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLILTG Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；3.1 M ammonium sulfate, 0.1 M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.85 Å R-free 0.280
4EZY Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLILTG Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；3.1 M ammonium sulfate, 0.1 M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.85 Å R-free 0.280
4EZY Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLILTG Deposited 2012-05-03 Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；3.1 M ammonium sulfate, 0.1 M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.85 Å R-free 0.280
4EZY Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLILTG Deposited 2012-05-03 Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；292 K；3.1 M ammonium sulfate, 0.1 M MES pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.85 Å R-free 0.280
4EZZ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide ELPLVKI Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.05 Å R-free 0.308
4EZZ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide ELPLVKI Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.05 Å R-free 0.308
4EZZ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide ELPLVKI Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.05 Å R-free 0.308
4EZZ Crystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide ELPLVKI Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 9；292 K；3.0 M ammonium sulfate, 0.1 M bicine pH 9.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 2.05 Å R-free 0.308
4F00 Crystal structure of the substrate binding domain of E.coli DnaK in complex with an apidaecin fragment from the bumblebee (residues 3 to 11) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M sodium malonate 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.242
4F00 Crystal structure of the substrate binding domain of E.coli DnaK in complex with an apidaecin fragment from the bumblebee (residues 3 to 11) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M sodium malonate 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.242
4F00 Crystal structure of the substrate binding domain of E.coli DnaK in complex with an apidaecin fragment from the bumblebee (residues 3 to 11) Deposited 2012-05-03 Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M sodium malonate 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.242
4F00 Crystal structure of the substrate binding domain of E.coli DnaK in complex with an apidaecin fragment from the bumblebee (residues 3 to 11) Deposited 2012-05-03 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4；292 K；2.4 M sodium malonate 0.1 M citric acid pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.242
4F01 Crystal structure of an artificial dimeric DnaK complex Deposited 2012-05-03 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 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；292 K；2.9 M ammonium sulfate 0.1 M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.40 Å R-free 0.213
4F01 Crystal structure of an artificial dimeric DnaK complex Deposited 2012-05-03 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 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；292 K；2.9 M ammonium sulfate 0.1 M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.40 Å R-free 0.213
4F01 Crystal structure of an artificial dimeric DnaK complex Deposited 2012-05-03 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 A 389–607（219 aa） Fragment：UNP residues 389-607
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.4；292 K；2.9 M ammonium sulfate 0.1 M MES pH 6.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.40 Å R-free 0.213
4HY9 Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin_LYZZ (residues 1 to 11) Deposited 2012-11-13 Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.1；292 K；2.2 M ammonium sulfate, 0.1 M citric acid pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.241
4HY9 Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin_LYZZ (residues 1 to 11) Deposited 2012-11-13 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.1；292 K；2.2 M ammonium sulfate, 0.1 M citric acid pH 4.1, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.55 Å R-free 0.241
4HYB Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin_LYZI (residues 1 to 10) Deposited 2012-11-13 Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.244
4HYB Crystal structure of the substrate binding domain of E.coli DnaK in complex with pyrrhocoricin_LYZI (residues 1 to 10) Deposited 2012-11-13 Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：UNP residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.70 Å R-free 0.244
4JN4 Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP Deposited 2013-03-14 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 2–610（609 aa） Fragment：UNP residues 2-610
Chain B 2–610（609 aa） Fragment：UNP residues 2-610
Mutation：N432M,Q433G,S434G Mutation：N432M,Q433G,S434G MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 SO4 SULFATE ION × 11 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；273 K；1.8-2.0 M ammonium sulfate, 0.1 M Hepes-NaOH, 2-3% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 2.30 Å R-free 0.197
4JNE Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP Deposited 2013-03-15 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 2–610（609 aa） Fragment：UNP RESIDUES 2-610
Chain B 2–610（609 aa） Fragment：UNP RESIDUES 2-610
Mutation：N432M,Q433G,S434G Mutation：N432M,Q433G,S434G MG MAGNESIUM ION × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 2 SO4 SULFATE ION × 11 GOL GLYCEROL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；273 K；1.8-2.0 M ammonium sulfate, 0.1 M Hepes-NaOH, 2-3% PEG 400, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 273K
Resolution 1.96 Å R-free 0.201
4JNF Allosteric opening of the polypeptide-binding site when an Hsp70 binds ATP Deposited 2013-03-15 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 389–610（222 aa） Fragment：Substrate binding domain, unp RESIDUES 389-610
Mutation：N432M,Q433G,S434G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；2.0 M ammonium sulfate, 0.1 M Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 1.62 Å R-free 0.216
4JWC Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16) Deposited 2013-03-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：uno residues 389-607
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.225
4JWC Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16) Deposited 2013-03-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：uno residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.225
4JWC Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(1-16) Deposited 2013-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：uno residues 389-607
Chain B 389–607（219 aa） Fragment：uno residues 389-607
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.4 M ammonium sulfate, 0.1 M citric acid, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.80 Å R-free 0.225
4JWD Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(15-28) Deposited 2013-03-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.2 M ammonium sulfate, 0.1 M citric acid pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.217
4JWD Crystal structure of the substrate binding domain of E.coli DnaK in complex with bovine Bac7(15-28) Deposited 2013-03-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.2 M ammonium sulfate, 0.1 M citric acid pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.217
4JWE Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(1-21) Deposited 2013-03-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.226
4JWE Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(1-21) Deposited 2013-03-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.226
4JWE Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(1-21) Deposited 2013-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：unp residues 389-607
Chain B 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；2.4 M ammonium sulfate, 0.1 M sodium acetate pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.95 Å R-free 0.226
4JWI Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(35-43) Deposited 2013-03-27 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.2 M ammonium sulfate, 0.1 M citric acid, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.229
4JWI Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(35-43) Deposited 2013-03-27 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.2 M ammonium sulfate, 0.1 M citric acid, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.229
4JWI Crystal structure of the substrate binding domain of E.coli DnaK in complex with sheep Bac7(35-43) Deposited 2013-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric
Chain A 389–607（219 aa） Fragment：unp residues 389-607
Chain B 389–607（219 aa） Fragment：unp residues 389-607
Not recorded SO4 SULFATE ION × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 4.4；292 K；2.2 M ammonium sulfate, 0.1 M citric acid, pH 4.4, VAPOR DIFFUSION, HANGING DROP, temperature 292K
Resolution 1.90 Å R-free 0.229
4R5G Crystal structure of the DnaK C-terminus with the inhibitor PET-16 Deposited 2014-08-21 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 389–607（219 aa） Fragment：C-terminus of DnaK
Chain B 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded 3JE triphenyl(phenylethynyl)phosphonium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；1.8M ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 3.45 Å R-free 0.328
4R5G Crystal structure of the DnaK C-terminus with the inhibitor PET-16 Deposited 2014-08-21 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 A 389–607（219 aa） Fragment：C-terminus of DnaK
Chain B 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded 3JE triphenyl(phenylethynyl)phosphonium × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；1.8M ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 3.45 Å R-free 0.328
4R5I Crystal structure of the DnaK C-terminus with the substrate peptide NRLLLTG Deposited 2014-08-21 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded SO4 SULFATE ION × 3 PO4 PHOSPHATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；2.2M ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.97 Å R-free 0.218
4R5J Crystal structure of the DnaK C-terminus (Dnak-SBD-A) Deposited 2014-08-21 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 389–607（219 aa） Fragment：C-terminus of DnaK
Chain C 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded CA CALCIUM ION × 3 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.15 M potassium bromide, 30% w/v polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.36 Å R-free 0.258
4R5J Crystal structure of the DnaK C-terminus (Dnak-SBD-A) Deposited 2014-08-21 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 B 389–607（219 aa） Fragment：C-terminus of DnaK
Chain D 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded CA CALCIUM ION × 2 PO4 PHOSPHATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.15 M potassium bromide, 30% w/v polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.36 Å R-free 0.258
4R5K Crystal structure of the DnaK C-terminus (Dnak-SBD-B) Deposited 2014-08-21 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 389–607（219 aa） Fragment：C-terminus of DnaK
Chain B 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded SO4 SULFATE ION × 4 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；293 K；0.15 M potassium bromide, 30% w/v polyethylene glycol monomethyl ether 2000, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 1.75 Å R-free 0.218
4R5L Crystal structure of the DnaK C-terminus (Dnak-SBD-C) Deposited 2014-08-21 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 389–607（219 aa） Fragment：C-terminus of DnaK
Chain B 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded SO4 SULFATE ION × 6 PO4 PHOSPHATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；2.1M ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.97 Å R-free 0.243
4R5L Crystal structure of the DnaK C-terminus (Dnak-SBD-C) Deposited 2014-08-21 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 389–607（219 aa） Fragment：C-terminus of DnaK
Chain D 389–607（219 aa） Fragment：C-terminus of DnaK
Not recorded SO4 SULFATE ION × 4 PO4 PHOSPHATE ION × 1 CA CALCIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.5；293 K；2.1M ammonium sulfate, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.97 Å R-free 0.243
5NRO Structure of full-length DnaK with bound J-domain Deposited 2017-04-25 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 A 1–605（605 aa）
Mutation：E47C, T199A, F529C ATP ADENOSINE-5'-TRIPHOSPHATE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；9% w/v PEG 8000 0.1M calcium acetate 0.1 M imidazole pH 6.5 protein at 18 mg/ml crystalization drop contained 200 nl protein + 100 nl reservoir solution
Resolution 3.25 Å R-free 0.234
5OOW Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP Deposited 2017-08-09 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 183–383（201 aa）
Not recorded ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；25% PEG1500, 0.1 M MIB buffer pH 7.0
Resolution 2.90 Å R-free 0.249
5OOW Crystal structure of lobe II from the nucleotide binding domain of DnaK in complex with AMPPCP Deposited 2017-08-09 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 183–383（201 aa）
Not recorded ACP PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；25% PEG1500, 0.1 M MIB buffer pH 7.0
Resolution 2.90 Å R-free 0.249
7JMM Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RAKNIILLSR Deposited 2020-08-02 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4 M (NH4)2SO4, 0.1 M K3PO4
Resolution 2.56 Å R-free 0.327
7JN8 Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGNTLVIVSR Deposited 2020-08-04 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.8 M (NH4)2SO4, 0.1 M K3PO4
Resolution 3.09 Å R-free 0.319
7JN9 Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide QEHTGSQLRIAAYGP Deposited 2020-08-04 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4 M (NH4)2SO4, 0.1 M K3PO4
Resolution 2.40 Å R-free 0.286
7JNE Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RGSQLRIASR Deposited 2020-08-04 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4 M (NH4)2SO4, 0.1 M K3PO4
Resolution 2.54 Å R-free 0.334
7N6J Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RKQSTIALALLPLLFTPRR Deposited 2021-06-08 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.4 M (NH4)2SO4, 0.1 M K3PO4 pH 7.0
Resolution 2.00 Å R-free 0.265
7N6K Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RALALLPLSR Deposited 2021-06-08 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.9；293 K；2.6 M (NH4)2SO4, 0.1 M K3PO4
Resolution 2.55 Å R-free 0.306
7N6L Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide EANQQKPLLGLFADG Deposited 2021-06-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded GOL GLYCEROL × 2 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.8 M (NH4)2SO4, 0.1 M K3PO4
Resolution 2.40 Å R-free 0.332
7N6M Crystal structure of the substrate-binding domain of E. coli DnaK in complex with the peptide RQKPLLGLSR Deposited 2021-06-08 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 389–607（219 aa）
Not recorded SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；2.6 M (NH4)2SO4, 0.1 M K3PO4
Resolution 1.82 Å R-free 0.287

52 other PDB entries and 122 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name DNAK_ECOLI
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 1–219； UniProt 389–607 Author chain B； PDBConstruct 1–219； UniProt 389–607 Author chain C； PDBConstruct 1–219； UniProt 389–607 Author chain D； PDBConstruct 1–219； UniProt 389–607

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 4ezw

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4ezw
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4ezw
Deposition date deposition_date2012-05-03
Structure title titleCrystal structure of the substrate binding domain of E.coli DnaK in complex with the designer peptide NRLLLTG
Keywords keywordschaperone, CHAPERONE-PEPTIDE BINDING PROTEIN complex; CHAPERONE/PEPTIDE BINDING PROTEIN
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_guinier38.72 Å
Radius of gyration Rg (electron density) rg_electron39.19 Å
Forward intensity I(0) i0160934000.00
Molecular weight molecular_weight97205.0 kDa
Excluded volume excluded_volume120170 ų
Envelope volume envelope_volume176280 ų
Hydration-shell volume shell_volume41850 ų
Envelope diameter envelope_diameter154.8 Å
Shell Rg shell_rg39.68 Å
Envelope Rg envelope_rg38.90 Å
Shape Rg shape_rg39.18 Å
Total Rg total_rg39.22 Å
Total atoms total_atoms6793
Residues n_residues888
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 dmax143.1 Å
Rg (real space) rg_real39.27 Å
Rg uncertainty (real space) rg_real_error1.65 Å
I(0) (real space) i0_real1.6090e+08
I(0) uncertainty (real space) i0_real_error3.0510e+06
Rg (reciprocal space) rg_reciprocal38.93 Å
I(0) (reciprocal space) i0_reciprocal160900000.0000
Solution quality estimate total_estimate0.5960
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary45.4 Å
Skewness Skewness skewness0.699
Kurtosis Kurtosis kurtosis0.252
Angular range angular_range— – 0.2050 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8464000.0000
Real-space data points n_real_points42
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.565; Stabil: 1.000; Sysdev: 0.132; Positv: 1.000; Valcen: 0.856; Smooth: 0.797
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (4)

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7. Fold Classification (SCOP + CATH) 8 domains

CATH v4.4 (8 domains)

Domain ID domain_id4ezwA01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Domain ID domain_id4ezwA02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily10 —
Domain ID domain_id4ezwB01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Domain ID domain_id4ezwB02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily10 —
Domain ID domain_id4ezwC01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Domain ID domain_id4ezwC02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily10 —
Domain ID domain_id4ezwD01
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology34 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Homologous superfamily homologous superfamily10 — Substrate Binding Domain Of DNAk; Chain A, domain 1
Domain ID domain_id4ezwD02
Class class1 — Mainly Alpha
Architecture architecture20 — Up-down Bundle
Topology topology1270 — Substrate Binding Domain Of Dnak; Chain:A; Domain 2
Homologous superfamily homologous superfamily10 —
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8. Citations (1)

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9. Files and Curves (10)