PDB entry 4ahr

View 4ahr on RCSB PDB site
Description: Parallel screening of a low molecular weight compound library: do differences in methodology affect hit identification
Class: transferase
Keywords: transferase, fragment screening
Deposited on 2012-02-07, released 2012-12-19
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-01-30, with a file datestamp of 2013-01-25.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.19605
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: integrase
    Species: HUMAN IMMUNODEFICIENCY VIRUS [TaxId:12721]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P12497
      • engineered mutation (26)
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.03: d4ahra_
  • Chain 'B':
    Compound: integrase
    Species: HUMAN IMMUNODEFICIENCY VIRUS [TaxId:12721]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P12497
      • engineered mutation (26)
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.03: d4ahrb_
  • Heterogens: SO4, ACY, GOL, I2E, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4ahrA (A:)
sspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvht
dngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlkta
vqmavfihnhkrkgggysagerivdiiatdiqt

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4ahrB (B:)
sspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvht
dngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlkta
vqmavfihnhkrkgggysagerivdiiatdiqt