PDB entry 4cef

View 4cef on RCSB PDB site
Description: Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Class: transferase
Keywords: transferase, DNA integration, structure based drug design, RNA-directed DNA polymerase
Deposited on 2013-11-11, released 2013-11-20
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-06-25, with a file datestamp of 2014-06-20.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.1694
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: integrase
    Species: HUMAN IMMUNODEFICIENCY VIRUS 1 [TaxId:11676]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.08: d4cefa_
  • Chain 'B':
    Compound: integrase
    Species: HUMAN IMMUNODEFICIENCY VIRUS 1 [TaxId:11676]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.08: d4cefb_
  • Heterogens: SO4, CL, GOL, D0T, HOH

PDB Chain Sequences:

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

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

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

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