PDB entry 4cgg

View 4cgg on RCSB PDB site
Description: Interrogating HIV integrase for compounds that bind- a SAMPL challenge
Class: transferase
Keywords: transferase, hiv integrase, structure based drug design
Deposited on 2013-11-25, released 2013-12-04
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-12-04, with a file datestamp of 2013-11-29.
Experiment type: XRAY
Resolution: 1.75 Å
R-factor: 0.17921
AEROSPACI score: 0.46 (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: d4cgga_
  • 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 2.03: d4cggb_
  • Heterogens: SO4, CL, EDO, K5Q, HOH

PDB Chain Sequences:

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

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

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4cggB (B:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacwwagikqedgipynpqsqgviesmnkelkkiigqvrdqaehlktav
qmavfihnhkrkgysagerivdiiatdiq