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

X-ray diffraction
1.88Å resolution
PDB entry 5aqf coloured by chain, front view.
PDB entry 5aqf coloured by chain, side view.
PDB entry 5aqf coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
hetero dimer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1
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Assembly Name: BAG family molecular chaperone regulator 1 and Heat shock cognate 71 kDa protein
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Multimeric state: hetero dimer
Accessible surface area: 22686.34 Å2
Buried surface area: 4799.79 Å2
Dissociation area: 1,055.32 Å2
Dissociation energy (ΔGdiss): 0.36 kcal/mol
Dissociation entropy (TΔSdiss): 12.26 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145678
Assembly 2 (preferred)
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Assembly Name: BAG family molecular chaperone regulator 1 and Heat shock cognate 71 kDa protein
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Multimeric state: hetero dimer
Accessible surface area: 22362.62 Å2
Buried surface area: 3852.32 Å2
Dissociation area: 997.72 Å2
Dissociation energy (ΔGdiss): -1.32 kcal/mol
Dissociation entropy (TΔSdiss): 12.19 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-145678

Macromolecules

Heat shock cognate 71 kDa protein
Chains: A, C
Length: 386 amino acids
Theoretical weight: 42.41 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P11142 (Residues: 1-381; Coverage: 59%)
Gene names: HSC70, HSP73, HSPA10, HSPA8
Pfam: Hsp70 protein
InterPro:
CATH:
Heat shock cognate 71 kDa protein in PDB entry 5aqf, assembly 2, front view.
Heat shock cognate 71 kDa protein in PDB entry 5aqf, assembly 2, side view.
Heat shock cognate 71 kDa protein in PDB entry 5aqf, assembly 2, top view.
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BAG family molecular chaperone regulator 1
Chains: B, D
Length: 118 amino acids
Theoretical weight: 13.51 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: Q99933 (Residues: 222-334; Coverage: 33%)
Gene names: BAG1, HAP
Pfam: BAG domain
InterPro:
CATH: BAG domain
BAG family molecular chaperone regulator 1 in PDB entry 5aqf, assembly 2, front view.
BAG family molecular chaperone regulator 1 in PDB entry 5aqf, assembly 2, side view.
BAG family molecular chaperone regulator 1 in PDB entry 5aqf, assembly 2, top view.
Molecule details ›

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