› 7adu

X-ray diffraction
2.62Å resolution

Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI XZ440 (compound 5j)

Released:
DOI: 10.2210/pdb7adu/pdb
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PDB entry 7adu coloured by chain, front view.
PDB entry 7adu coloured by chain, side view.
PDB entry 7adu coloured by chain, top view.
Source organisms:
Primary publication:
HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Smith SJ, Zhao XZ, Passos DO, Pye VE, Cherepanov P, Lyumkis D, Burke TR, Hughes SH
OpenAccess logo ACS Infect Dis 7 1469-1482 (2021)
PMID: 33686850

Function and Biology Details

Reactions catalysed: 
Deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1)
Endonucleolytic cleavage to 5'-phosphomonoester.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero octamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-121058 (preferred)
Entry contents:
1 distinct polypeptide molecule
2 distinct DNA molecules
Macromolecules (3 distinct):
Integrase Chains: A, B
Molecule details ›
Chains: A, B
Length: 395 amino acids
Theoretical weight: 44.46 KDa
Source organism: Human spumaretrovirus
Expression system: Escherichia coli
UniProt:
  • Canonical: P14350 (Residues: 754-1143; Coverage: 34%)
Gene name: pol
Sequence domains:
DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3') Chain: C
Molecule details ›
Chain: C
Length: 19 nucleotides
Theoretical weight: 5.83 KDa
Source organism: synthetic construct
Expression system: Not provided
DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3') Chain: D

Ligands and Environments

6 bound ligands:
Ligand MG 2 x MG
Ligand R7K 1 x R7K
Ligand ZN 1 x ZN
Ligand SO4 11 x SO4
Ligand GOL 6 x GOL
Ligand MES 1 x MES
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P41212
Unit cell:
a: 159.469Å b: 159.469Å c: 123.499Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.232
Expression systems:
  • Escherichia coli
  • Not provided

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Citations

2 review citations

A clinical review of HIV integrase strand transfer inhibitors (INSTIs) for the prevention and treatment of HIV-1 infection.
Zhao et al. (2022)
1 more

1 mention without citation

HIV-1 Integrase Inhibitors with Modifications That Affect Their Potencies against Drug Resistant Integrase Mutants.
Smith et al. (2021)

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