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Human artd1 (parp1) - catalytic domain in complex with inhibitor xav939

X-ray diffraction
2.84Å resolution
PDB entry 4r5w coloured by chain, front view.
PDB entry 4r5w coloured by chain, side view.
PDB entry 4r5w coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1
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Assembly Name: Poly [ADP-ribose] polymerase 1, processed C-terminus
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Multimeric state: monomeric
Accessible surface area: 16705.07 Å2
Buried surface area: 966.83 Å2
Dissociation area: 62.84 Å2
Dissociation energy (ΔGdiss): 8.67 kcal/mol
Dissociation entropy (TΔSdiss): 0.59 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-140785
Assembly 2 (preferred)
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Assembly Name: Poly [ADP-ribose] polymerase 1, processed C-terminus
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Multimeric state: monomeric
Accessible surface area: 17200.01 Å2
Buried surface area: 395.84 Å2
Dissociation area: 97.1 Å2
Dissociation energy (ΔGdiss): 16.41 kcal/mol
Dissociation entropy (TΔSdiss): 0.59 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-140785

Macromolecules

Poly [ADP-ribose] polymerase 1, processed C-terminus
Chains: A, B
Length: 358 amino acids
Theoretical weight: 40.2 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P09874 (Residues: 662-1011; Coverage: 35%)
Gene names: ADPRT, PARP1, PPOL
Pfam:
InterPro:
CATH:
Poly [ADP-ribose] polymerase 1, processed C-terminus in PDB entry 4r5w, assembly 2, front view.
Poly [ADP-ribose] polymerase 1, processed C-terminus in PDB entry 4r5w, assembly 2, side view.
Poly [ADP-ribose] polymerase 1, processed C-terminus in PDB entry 4r5w, assembly 2, top view.
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