Structure of PDB 3qio Chain A Binding Site BS01

Receptor Information

>3qio Chain A (length=136) Species: 11706,83333

MYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQ
KTELQAIYLALQDSGLEVNIVTDSQYALGIITQWIHNWKKNVDLVNQIIE
QLIKKEKVYLAWVPAHKGIGGNEQVDKLVSAGIRKV

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: 3qio Chain A Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3qio Structural and Binding Analysis of Pyrimidinol Carboxylic Acid and N-Hydroxy Quinazolinedione HIV-1 RNase H Inhibitors.
• Resolution: 1.4011 Å
• Binding residue (original residue number in PDB): D443 E478 D498
• Binding residue (residue number reindexed from 1): D18 E53 D73
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D443 G444 E478 D498 H539 D549
• Catalytic site (residue number reindexed from 1): D18 G19 E53 D73 H116 D126
• 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.
  3.1.26.4: ribonuclease H.
  3.4.23.16: HIV-1 retropepsin.

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding
• GO:0004523 RNA-DNA hybrid ribonuclease activity

External links

• PDB: RCSB:3qio, PDBe:3qio, PDBj:3qio
• PDBsum: 3qio
• PubMed: 21464257
• UniProt: P04585|POL_HV1H2 Gag-Pol polyprotein (Gene Name=gag-pol);
  P0A7Y4|RNH_ECOLI Ribonuclease HI (Gene Name=rnhA)