Structure of PDB 8u6k Chain B Binding Site BS01

Receptor Information

>8u6k Chain B (length=403) Species: 11676 (Human immunodeficiency virus 1)

PIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPE
NPYNTPVFAIKKSTKWRKLVDFRELNKRTQDFWPHPAGLKKKKSVTVLDV
GDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQ
SSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLR
WGLTTPYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIK
VRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDL
IAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKI
TTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKL
WYQ

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: 8u6k Chain B Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8u6k Covalent and noncovalent strategies for targeting Lys102 in HIV-1 reverse transcriptase.
• Resolution: 2.72 Å
• Binding residue (original residue number in PDB): Q23 N57 T58 T131
• Binding residue (residue number reindexed from 1): Q20 N54 T55 T120
• 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.
  3.4.23.16: HIV-1 retropepsin.

Gene Ontology

Molecular Function

• GO:0003964 RNA-directed DNA polymerase activity

Biological Process

• GO:0006278 RNA-templated DNA biosynthetic process

External links

• PDB: RCSB:8u6k, PDBe:8u6k, PDBj:8u6k
• PDBsum: 8u6k
• PubMed: 37883896
• UniProt: P03366|POL_HV1B1 Gag-Pol polyprotein (Gene Name=gag-pol)