PDB entry 4cie

View 4cie on RCSB PDB site
Description: Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Class: transferase
Keywords: transferase, hiv integrase, structure based drug design
Deposited on 2013-12-07, released 2014-01-08
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: 0.1765
AEROSPACI score: 0.48 (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 F2WR52
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.08: d4ciea_
  • Chain 'B':
    Compound: integrase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Database cross-references and differences (RAF-indexed):
    • Uniprot F2WR52
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.08: d4cieb_
  • Heterogens: SO4, CL, ACY, Y7N, HOH

PDB Chain Sequences:

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

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

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

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