PDB entry 4ck3

View 4ck3 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 2013-12-24, released 2014-01-22
The last revision prior to the SCOPe 2.03 freeze date was dated 2014-01-22, with a file datestamp of 2014-01-17.
Experiment type: XRAY
Resolution: 1.79 Å
R-factor: 0.19291
AEROSPACI score: 0.43 (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 (26)
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.03: d4ck3a_
  • Chain 'B':
    Compound: integrase
    Species: Human immunodeficiency virus 1 [TaxId:11676]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q76353
      • engineered mutation (26)
      • engineered mutation (109)
      • engineered mutation (155)
    Domains in SCOPe 2.03: d4ck3b_
  • Heterogens: SO4, ACT, K1T, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ck3A (A:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke

    Sequence, based on observed residues (ATOM records): (download) 
    >4ck3A (A:)
sspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvht
dngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlkta
vqmavfihnhkrkgysagerivdiiatdi

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ck3B (B:)
mgsshhhhhhssglvprgshmhgqvdsspgiwqldcthlegkvilvavhvasgyieaevi
paetgqetayfllklagrwpvktvhtdngsnftsttvkaacwwagikqedgipynpqsqg
viesmnkelkkiigqvrdqaehlktavqmavfihnhkrkggiggysagerivdiiatdiq
tke

    Sequence, based on observed residues (ATOM records): (download) 
    >4ck3B (B:)
sspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvht
dngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlkta
vqmavfihnhkrkgysagerivdiiatdi