PDB entry 3ao1

View 3ao1 on RCSB PDB site
Description: Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase
Class: viral protein/transferase inhibitor
Keywords: DNA INTEGRATION, AIDS, INTEGRASE, ENDONUCLEASE, POLYNUCLEOTIDYL TRANSFERASE, DNA BINDING, VIRAL PROTEIN, RNaseH, Fragment binding, VIRAL PROTEIN-TRANSFERASE INHIBITOR complex
Deposited on 2010-09-17, released 2011-03-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2011-03-09, with a file datestamp of 2011-03-04.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.219
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Pol polyprotein
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q72498
      • engineered mutation (81)
      • engineered mutation (89)
      • engineered mutation (135)
    Domains in SCOPe 2.08: d3ao1a_
  • Chain 'B':
    Compound: Pol polyprotein
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q72498
      • engineered mutation (81)
      • engineered mutation (135)
    Domains in SCOPe 2.08: d3ao1b_
  • Heterogens: CD, SO4, BZX, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ao1A (A:)
mhgqvdsspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwp
vktvhtdngsnftsttvkaacdwagikqedgipynpqsqgviesmnkelkkiigqvrdqa
ehlktavqmavfihnhkrkggiggysagerivdiiatdiqtke

    Sequence, based on observed residues (ATOM records): (download) 
    >3ao1A (A:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacdwagikqedgipsmnkelkkiigqvrdqaehlktavqmavfihnhk
rkggiggysagerivdiiatd

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3ao1B (B:)
mhgqvdsspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwp
vktvhtdngsnftsttvkaacdwagikqedgipynpqsqgviesmnkelkkiigqvrdqa
ehlktavqmavfihnhkrkggiggysagerivdiiatdiqtke

    Sequence, based on observed residues (ATOM records): (download) 
    >3ao1B (B:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacdwagikqegviesmnkelkkiigqvrdqaehlktavqmavfihnhk
rkggiggysagerivdiiatdi