Structure of PDB 5uv5 Chain A Binding Site BS01

Receptor Information

>5uv5 Chain A (length=534) Species: 11678 (Human immunodeficiency virus type 1 BH10)

PIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPE
NPYNTPVFARKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVG
DAYFSVPLDEDFRKYTAFTIPGIRYQYNVLPQGWKGSPAIFQSSMTKILE
PFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDK
KHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQ
IYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYY
DPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLT
EAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNT
PPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNKGRQKVVPL
TNTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDKSESELVN
QIIEQLIKKEKVYLAWVPAHKGIGGNEQVDKLVS

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5uv5 Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5uv5 A 2-Hydroxyisoquinoline-1,3-Dione Active-Site RNase H Inhibitor Binds in Multiple Modes to HIV-1 Reverse Transcriptase.
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): D443 E478 D498
• Binding residue (residue number reindexed from 1): D424 E459 D479
• 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:5uv5, PDBe:5uv5, PDBj:5uv5
• PDBsum: 5uv5
• PubMed: 28760905
• UniProt: P03366|POL_HV1B1 Gag-Pol polyprotein (Gene Name=gag-pol)