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