PDB entry 3nf6

View 3nf6 on RCSB PDB site
Description: Structural basis for a new mechanism of inhibition of HIV integrase identified by fragment screening and structure based design
Class: hydrolase/hydrolase inhibitor
Keywords: integrase, integration, DNA, see mutations, intra-cellular, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2010-06-09, released 2011-04-27
The last revision prior to the SCOPe 2.07 freeze date was dated 2012-05-02, with a file datestamp of 2012-04-27.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.18
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 2.07: d3nf6a_
  • 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 2.07: d3nf6b_
  • Heterogens: SO4, EDO, CL, ACY, IMV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3nf6A (A:)
    mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
    paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
    viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
    tke
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nf6A (A:)
    spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
    ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
    qmavfihnhkrkgysagerivdiiatdiq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3nf6B (B:)
    mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
    paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
    viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
    tke
    

    Sequence, based on observed residues (ATOM records): (download)
    >3nf6B (B:)
    spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
    ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
    qmavfihnhkrkgysagerivdiiatdiq