PDB entry 4chn

View 4chn on RCSB PDB site
Description: Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Class: transferase
Keywords: transferase, structure based drug design
Deposited on 2013-12-04, released 2013-12-11
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-12-11, with a file datestamp of 2013-12-06.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.17765
AEROSPACI score: 0.39 (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 2.03: d4chna_
  • 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 2.03: d4chnb_
  • Heterogens: SO4, ACT, EDO, GOL, ONZ, HOH

PDB Chain Sequences:

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

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

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

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