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Crystal structure of HSC70/BAG1 in complex with small molecule inhibitor

X-ray diffraction
1.9Å resolution
PDB entry 3ldq coloured by chain, front view.
PDB entry 3ldq coloured by chain, side view.
PDB entry 3ldq 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 (preferred)
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Assembly Name: Heat shock cognate 71 kDa protein and BAG family molecular chaperone regulator 1
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Multimeric state: hetero dimer
Accessible surface area: 23082.62 Å2
Buried surface area: 1939.53 Å2
Dissociation area: 969.77 Å2
Dissociation energy (ΔGdiss): -1.27 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
Chain: A
Length: 381 amino acids
Theoretical weight: 42.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P11142 (Residues: 4-381; Coverage: 59%)
Gene names: HSC70, HSP73, HSPA10, HSPA8
Pfam: Hsp70 protein
InterPro:
CATH:
Heat shock cognate 71 kDa protein in PDB entry 3ldq, assembly 1, front view.
Heat shock cognate 71 kDa protein in PDB entry 3ldq, assembly 1, side view.
Heat shock cognate 71 kDa protein in PDB entry 3ldq, assembly 1, top view.
PDBe-KB: UniProt Coverage View: P11142  
138150100150200250300350
 
100200300
UniProt
P11142
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Secondary structure
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Ligand binding sites
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BAG family molecular chaperone regulator 1
Chain: B
Length: 114 amino acids
Theoretical weight: 13.16 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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 3ldq, assembly 1, front view.
BAG family molecular chaperone regulator 1 in PDB entry 3ldq, assembly 1, side view.
BAG family molecular chaperone regulator 1 in PDB entry 3ldq, assembly 1, top view.
PDBe-KB: UniProt Coverage View: Q99933  
1114102030405060708090100110
 
50100
UniProt
Q99933
Chains
Domains
Secondary structure
Flexibility predictions
Early folding residue predictions
Interaction interfaces
Molecule details ›

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