Structure of PDB 3vqq Chain B Binding Site BS01

Receptor Information

>3vqq Chain B (length=140) Species: 11676 (Human immunodeficiency virus 1)

SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAG
RWPVKTVHTDNGSNFTSTTVKAACDWAGIKQEESMNKELKKIIGQVRDQA
EHLKTAVQMAVFIHNHKRKGGIGGYSAGERIVDIIATDIQ

Ligand information

• Ligand ID: FRU
• InChI: InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m1/s1
• InChIKey: RFSUNEUAIZKAJO-ARQDHWQXSA-N
• SMILES:
  ACDLabs 10.04: OC1C(O)C(OC1(O)CO)CO
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)O
  CACTVS 3.341: OC[CH]1O[C](O)(CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(O1)(CO)O)O)O)O
  CACTVS 3.341: OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
• Formula: C6 H12 O6
• Name: beta-D-fructofuranose;
  beta-D-fructose;
  D-fructose;
  fructose
• ChEMBL: CHEMBL604608
• ZINC: ZINC000001529270
• PDB chain: 3vqq Chain C Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vqq Parallel screening of low molecular weight fragment libraries: do differences in methodology affect hit identification?
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E87 E96 Y99 K103
• Binding residue (residue number reindexed from 1): E31 E40 Y43 K47
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.1.13.2: exoribonuclease H.
  3.1.26.13: retroviral ribonuclease H.

Gene Ontology

Molecular Function

• GO:0003676 nucleic acid binding

Biological Process

• GO:0015074 DNA integration

External links

• PDB: RCSB:3vqq, PDBe:3vqq, PDBj:3vqq
• PDBsum: 3vqq
• PubMed: 23139382
• UniProt: Q72498