PDB entry 3av9

View 3av9 on RCSB PDB site
Description: Crystal structures of novel allosteric peptide inhibitors of HIV integrase in the LEDGF binding site
Deposited on 2011-03-02, released 2012-01-18
The last revision was dated 2013-06-19, with a file datestamp of 2013-06-14.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.166
AEROSPACI score: 0.59 (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 (26)
      • 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 (26)
      • engineered mutation (109)
      • engineered mutation (155)
  • Chain 'X':
    Compound: LEDGF peptide
    Species: HOMO SAPIENS, synthetic [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 3AV9 (0-7)
  • Chain 'Y':
    Compound: LEDGF peptide
    Species: HOMO SAPIENS, synthetic [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • PDB 3AV9 (0-7)
  • Heterogens: SO4, ACY, CL, 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:
    >3av9A (A:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke

    Sequence, based on observed residues (ATOM records):
    >3av9A (A:)
sspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvht
dngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlkta
vqmavfihnhkrkgysagerivdiiatdiq

  • Chain 'B':
    Sequence, based on SEQRES records:
    >3av9B (B:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke

    Sequence, based on observed residues (ATOM records):
    >3av9B (B:)
sspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvht
dngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlkta
vqmavfihnhkrkgysagerivdiiatdiq

  • Chain 'X':
    Sequence; same for both SEQRES and ATOM records:
    >3av9X (X:)
sakidnld

  • Chain 'Y':
    Sequence; same for both SEQRES and ATOM records:
    >3av9Y (Y:)
sakidnld