Structure of PDB 6bsi Chain A Binding Site BS04

Receptor Information

>6bsi Chain A (length=543) Species: 11676 (Human immunodeficiency virus 1)

PIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPE
NPYNTPVFKLVDFRELNKKTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDA
YFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSM
TKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGL
TTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKL
NWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPV
HGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTND
VKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWVPEW
EFVNTPPLVKLWYQLEKEPIVGAETFYVDGAASRETKLGKAGYVTNKGRQ
KVVTLTDTTNQKTELQAIHLALQDSGLEVNIVTDSQYALGIIQAQPDQSE
SELVNQIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIR

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6bsi Chain A Residue 602

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6bsi Structure of HIV-1 reverse transcriptase cleaving RNA in an RNA/DNA hybrid.
• Resolution: 3.25 Å
• Binding residue (original residue number in PDB): D443 E478 D498
• Binding residue (residue number reindexed from 1): D429 E464 D484
• 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:0003676 nucleic acid binding
• GO:0003964 RNA-directed DNA polymerase activity
• GO:0004523 RNA-DNA hybrid ribonuclease activity

Biological Process

• GO:0006278 RNA-templated DNA biosynthetic process

External links

• PDB: RCSB:6bsi, PDBe:6bsi, PDBj:6bsi
• PDBsum: 6bsi
• PubMed: 29295939
• UniProt: P04585|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol)