5E5J
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 6.0
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Protease | polymer | 99 | 10754.7 | 2 | UniProt (Q7SSI0) | Human immunodeficiency virus 1 | |
| 2 | C (A) | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | non-polymer | 547.7 | 1 | Chemie (017) PubChem (44400512) PubChem (44578485) PubChem (23545473) PubChem (52949690) PubChem (213039) PubChem (58330571) PubChem (60170302) PubChem (70329566) PubChem (66725685) PubChem (89334570) PubChem (3001874) PubChem (89394603) PubChem (102206609) PubChem (6320435) PubChem (125136514) PubChem (6320436) PubChem (6320437) PubChem (101897907) PubChem (102206607) PubChem (102206608) PubChem (118243427) PubChem (118243428) PubChem (118243429) PubChem (125136515) PubChem (129010372) PubChem (131632443) PubChem (131667685) PubChem (134694394) PubChem (137704505) PubChem (137704865) PubChem (138631483) PubChem (138631484) PubChem (138631622) PubChem (144227995) PubChem (145507139) PubChem (147231834) PubChem (156183881) PubChem (156183911) PubChem (171370671) | |||
| 3 | D, E (A, B) | water | water | 18.0 | 116 | Chemie (DOD) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q7SSI0)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 32 | Val 32 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Val 47 | Ile 47 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ile 82 | Val 82 | engineered mutation |
| Ala 95 | Ser 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21509.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 547.7 | |
| All* | Total formula weight | 22057.1 |
