PDB entry 4ovl

View 4ovl on RCSB PDB site
Description: Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Class: transferase
Keywords: hiv integrase, structure based drug design
Deposited on 2013-11-21, released 2014-03-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-10-01, with a file datestamp of 2014-09-26.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.2
AEROSPACI score: 0.45 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: integrase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.08: d4ovla_
  • Chain 'B':
    Compound: integrase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Gene: pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.08: d4ovlb_
  • Heterogens: SO4, ACY, 1TD, GOL, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ovlA (A:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke

    Sequence, based on observed residues (ATOM records): (download) 
    >4ovlA (A:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ovlB (B:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke

    Sequence, based on observed residues (ATOM records): (download) 
    >4ovlB (B:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq