PDB entry 3zsq

View 3zsq on RCSB PDB site
Description: Small molecule inhibitors of the LEDGF site of HIV type 1 integrase identified by fragment screening and structure based drug design
Class: transferase
Keywords: transferase, aids
Deposited on 2011-06-30, released 2012-07-11
The last revision prior to the SCOPe 2.06 freeze date was dated 2012-08-01, with a file datestamp of 2012-07-27.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.16292
AEROSPACI score: 0.57 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: integrase
    Species: HUMAN IMMUNODEFICIENCY VIRUS [TaxId:12721]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (93)
      • engineered mutation (139)
    Domains in SCOPe 2.06: d3zsqa_
  • Chain 'B':
    Compound: integrase
    Species: HUMAN IMMUNODEFICIENCY VIRUS [TaxId:12721]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (93)
      • engineered mutation (139)
    Domains in SCOPe 2.06: d3zsqb_
  • Heterogens: SO4, ACY, O4N, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3zsqA (A:)
mgsshhhhhhsspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllkla
grwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqv
rdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiqtke

    Sequence, based on observed residues (ATOM records): (download) 
    >3zsqA (A:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3zsqB (B:)
mgsshhhhhhsspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllkla
grwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqv
rdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiqtke

    Sequence, based on observed residues (ATOM records): (download) 
    >3zsqB (B:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq