PDB entry 3avl

View 3avl on RCSB PDB site
Description: Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Deposited on 2011-03-05, released 2012-01-18
The last revision was dated 2013-06-19, with a file datestamp of 2013-06-14.
Experiment type: XRAY
Resolution: 1.88 Å
R-factor: 0.155
AEROSPACI score: 0.52 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: integrase
    Species: Human immunodeficiency virus type 1 [TaxId:11698]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P12497
      • engineered mutation (109)
      • engineered mutation (155)
  • Chain 'B':
    Compound: integrase
    Species: Human immunodeficiency virus type 1 [TaxId:11698]
    Gene: gag-pol
    Database cross-references and differences (RAF-indexed):
    • Uniprot P12497
      • engineered mutation (109)
      • engineered mutation (155)
  • Chain 'E':
    Compound: LEDGF peptide
    Species: HOMO SAPIENS, synthetic [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 3AVL (0-7)
  • Chain 'F':
    Compound: LEDGF peptide
    Species: HOMO SAPIENS, synthetic [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 3AVL (0-7)
  • Heterogens: SO4, CL, ACY, HOH

PDB Chain Sequences:
This PDB entry is not classified in SCOPe 2.08, so the chain sequences below are not included in the ASTRAL sequence sets.

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

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

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

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

  • Chain 'E':
    Sequence; same for both SEQRES and ATOM records:
    >3avlE (E:)
    atkidnld
    

  • Chain 'F':
    Sequence; same for both SEQRES and ATOM records:
    >3avlF (F:)
    atkidnld