Structure of PDB 3f9k Chain I Binding Site BS02

Receptor Information

>3f9k Chain I (length=204) Species: 11720 (Human immunodeficiency virus type 2 (ISOLATE ROD))

KIEPAQEEHEKYHSNVKELSHKFGIPNLVARQIVNSCAQCQQKGEAIHGQ
VNAELGTWQMDCTHLEGKIIIVAVHVASGFIEAEVIPQESGRQTALFLLK
LASRWPITHLHTDNGANFTSQEVKMVAWWIGIEQSFGVPYNPQSQGVVEA
MNHHLKNQISRIREQANTIETIVLMAVHCMNFKRRGGIGDMTPSERLINM
ITTE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 3f9k Chain I Residue 211

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3f9k A novel co-crystal structure affords the design of gain-of-function lentiviral integrase mutants in the presence of modified PSIP1/LEDGF/p75
• Resolution: 3.2 Å
• Binding residue (original residue number in PDB): D64 D116
• Binding residue (residue number reindexed from 1): D61 D113
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.7.-
  2.7.7.49: RNA-directed DNA polymerase.
  2.7.7.7: DNA-directed DNA polymerase.
  3.1.-.-
  3.1.13.2: exoribonuclease H.
  3.1.26.13: retroviral ribonuclease H.
  3.4.23.47: HIV-2 retropepsin.

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0008270 zinc ion binding

Biological Process

• GO:0015074 DNA integration

External links

• PDB: RCSB:3f9k, PDBe:3f9k, PDBj:3f9k
• PDBsum: 3f9k
• PubMed: 19132083
• UniProt: P04584|POL_HV2RO Gag-Pol polyprotein (Gene Name=gag-pol)