PDB entry 4k4q
View 4k4q on RCSB PDB site
Description: TL-3 inhibited Trp6Ala HIV Protease with 3-bromo-2,6-dimethoxybenzoic acid bound in flap site
Class: hydrolase/hydrolase inhibitor
Keywords: fragment binding, exosite, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2013-04-12, released
2013-09-18
The last revision prior to the SCOPe 2.04 freeze date was dated
2014-02-12, with a file datestamp of
2014-02-07.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.197
AEROSPACI score: 0.42
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: hiv-1 protease
Species: Human immunodeficiency virus 1 [TaxId:11683]
Gene: gag-pol
Database cross-references and differences (RAF-indexed):
- Uniprot P12499 (0-98)
- engineered mutation (5)
- conflict (6)
- conflict (40)
Domains in SCOPe 2.04: d4k4qa_ - Chain 'B':
Compound: hiv-1 protease
Species: Human immunodeficiency virus 1 [TaxId:11683]
Gene: gag-pol
Database cross-references and differences (RAF-indexed):
- Uniprot P12499 (0-98)
- engineered mutation (5)
- conflict (6)
- conflict (40)
Domains in SCOPe 2.04: d4k4qb_ - Heterogens: NO3, BME, DMS, 3TL, 06B, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence; same for both SEQRES and ATOM records: (download)
>4k4qA (A:)
pqitlakrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
qilieicghkaigtvlvgptpvniigrnlltqigctlnf
- Chain 'B':
Sequence; same for both SEQRES and ATOM records: (download)
>4k4qB (B:)
pqitlakrplvtikiggqlkealldtgaddtvleemnlpgrwkpkmiggiggfikvrqyd
qilieicghkaigtvlvgptpvniigrnlltqigctlnf