PDB entry 3ao1
View 3ao1 on RCSB PDB site
Description: Fragment-based approach to the design of ligands targeting a novel site in HIV-1 integrase
Class: viral protein/transferase inhibitor
Keywords: DNA INTEGRATION, AIDS, INTEGRASE, ENDONUCLEASE, POLYNUCLEOTIDYL TRANSFERASE, DNA BINDING, VIRAL PROTEIN, RNaseH, Fragment binding, VIRAL PROTEIN-TRANSFERASE INHIBITOR complex
Deposited on
2010-09-17, released
2011-03-09
The last revision prior to the SCOPe 2.06 freeze date was dated
2011-03-09, with a file datestamp of
2011-03-04.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.219
AEROSPACI score: 0.45
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Pol polyprotein
Species: Human immunodeficiency virus 1 [TaxId:11676]
Gene: pol
Database cross-references and differences (RAF-indexed):
- Uniprot Q72498
- engineered mutation (81)
- engineered mutation (89)
- engineered mutation (135)
Domains in SCOPe 2.06: d3ao1a_ - Chain 'B':
Compound: Pol polyprotein
Species: Human immunodeficiency virus 1 [TaxId:11676]
Gene: pol
Database cross-references and differences (RAF-indexed):
- Uniprot Q72498
- engineered mutation (81)
- engineered mutation (135)
Domains in SCOPe 2.06: d3ao1b_ - Heterogens: CD, SO4, BZX, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3ao1A (A:)
mhgqvdsspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwp
vktvhtdngsnftsttvkaacdwagikqedgipynpqsqgviesmnkelkkiigqvrdqa
ehlktavqmavfihnhkrkggiggysagerivdiiatdiqtke
Sequence, based on observed residues (ATOM records): (download)
>3ao1A (A:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacdwagikqedgipsmnkelkkiigqvrdqaehlktavqmavfihnhk
rkggiggysagerivdiiatd
- Chain 'B':
Sequence, based on SEQRES records: (download)
>3ao1B (B:)
mhgqvdsspgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwp
vktvhtdngsnftsttvkaacdwagikqedgipynpqsqgviesmnkelkkiigqvrdqa
ehlktavqmavfihnhkrkggiggysagerivdiiatdiqtke
Sequence, based on observed residues (ATOM records): (download)
>3ao1B (B:)
spgiwqldcthlegkvilvavhvasgyieaevipaetgqetayfllklagrwpvktvhtd
ngsnftsttvkaacdwagikqegviesmnkelkkiigqvrdqaehlktavqmavfihnhk
rkggiggysagerivdiiatdi