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Core Catalytic Domain of HIV Integrase in complex with virtual screening hit

X-ray diffraction
2.32Å resolution
PDB entry 6vlm coloured by chain, front view.
PDB entry 6vlm coloured by chain, side view.
PDB entry 6vlm coloured by chain, top view.
Source organism: Human immunodeficiency virus 1
Assembly composition:
homo dimer (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Protease
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Multimeric state: homo dimer
Accessible surface area: 13414.22 Å2
Buried surface area: 3740.3 Å2
Dissociation area: 1,870.15 Å2
Dissociation energy (ΔGdiss): 13.17 kcal/mol
Dissociation entropy (TΔSdiss): 12.44 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-136860

Macromolecules

Integrase
Chains: A, B
Length: 177 amino acids
Theoretical weight: 19.52 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli
UniProt:
  • Canonical: P03367 (Residues: 1208-1371; Coverage: 11%)
Gene name: gag-pol
Pfam: Integrase core domain
InterPro:
Integrase in PDB entry 6vlm, assembly 1, front view.
Integrase in PDB entry 6vlm, assembly 1, side view.
Integrase in PDB entry 6vlm, assembly 1, top view.
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