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Crystal Structure of HIV-1 Integrase Catalytic Core Domain with Inhibitor Peptide

X-ray diffraction
2.014Å resolution
PDB entry 6ex9 coloured by chain, front view.
PDB entry 6ex9 coloured by chain, side view.
PDB entry 6ex9 coloured by chain, top view.
Source organisms:
Assembly composition:
hetero tetramer (preferred)
Entry contents: 2 distinct polypeptide molecules

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Protease and peptide
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Multimeric state: hetero tetramer
Accessible surface area: 13504.81 Å2
Buried surface area: 4111.68 Å2
Dissociation area: 647.07 Å2
Dissociation energy (ΔGdiss): -8.03 kcal/mol
Dissociation entropy (TΔSdiss): 16.31 kcal/mol
Symmetry number: 2
PDBe Complex ID: PDB-CPX-138021

Macromolecules

Integrase
Chain: A
Length: 152 amino acids
Theoretical weight: 16.55 KDa
Source organism: Human immunodeficiency virus 1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04585 (Residues: 1204-1355; Coverage: 11%)
Gene name: gag-pol
Pfam: Integrase core domain
InterPro:
CATH: Ribonuclease H-like superfamily/Ribonuclease H
Integrase in PDB entry 6ex9, assembly 1, front view.
Integrase in PDB entry 6ex9, assembly 1, side view.
Integrase in PDB entry 6ex9, assembly 1, top view.
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Inhibitor Peptide
Chain: B
Length: 15 amino acids
Theoretical weight: 2.01 KDa
Source organism: synthetic construct
Expression system: Not provided
Inhibitor Peptide in PDB entry 6ex9, assembly 1, front view.
Inhibitor Peptide in PDB entry 6ex9, assembly 1, side view.
Inhibitor Peptide in PDB entry 6ex9, assembly 1, top view.
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