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7wce

X-ray diffraction
1.85Å resolution

Crystal structure of HIV-1 integrase catalytic core domain in complex with (2S)-2-(tert-Butoxy)-2-(10-fluoro-2-(2-hydroxy-4-methylphenyl)-1,4-dimethyl-5-(methylsulfonyl)-5,6-dihydrophenanthridin-3-yl)acetic acid

Released:
Model geometry
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Function and Biology Details

Reactions catalysed:
DNA(n) + a 2'-deoxyribonucleoside 5'-triphosphate = DNA(n+1) +diphosphate.
3'-end directed exonucleolytic cleavage of viral RNA-DNA hybrid.
Endohydrolysis of RNA in RNA/DNA hybrids. Three different cleavage modes:1. sequence-specific internal cleavage of RNA. Human immunodeficiencyvirus type 1 and Moloney murine leukemia virus enzymes prefer to cleavethe RNA strand one nucleotide away from the RNA-DNA junction. 2. RNA5'-end directed cleavage 13-19 nucleotides from the RNA end. 3. DNA3'-end directed cleavage 15-20 nucleotides away from the primer terminus.
Specific for a P1 residue that is hydrophobic, and P1' variable,but often Pro.
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146199 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Integrase Chain: A
Molecule details ›
Chain: A
Length: 166 amino acids
Theoretical weight: 18.43 KDa
Source organism: Human immunodeficiency virus type 1 (NEW YORK-5 ISOLATE)
Expression system: Escherichia coli
UniProt:
  • Canonical: P12497 (Residues: 1197-1359; Coverage: 11%)
Gene name: gag-pol
Sequence domains: Integrase core domain

Ligands and Environments

3 bound ligands:
1 modified residue:

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P3121
Unit cell:
a: 72.401Å b: 72.401Å c: 65.776Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.194 0.192 0.214
Expression system: Escherichia coli