5E5K
Joint X-ray/neutron structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with darunavir at pH 4.3
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) | HIV-1 protease | polymer | 99 | 10754.7 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus type 1 group M subtype B (HIV-1) | Pr160Gag-Pol |
| 2 | C (B) | (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 (213039) PubChem (6320436) PubChem (6320437) PubChem (44400512) PubChem (44578485) PubChem (23545473) PubChem (66725685) PubChem (3001874) PubChem (89394603) PubChem (52949690) PubChem (102206609) PubChem (6320435) PubChem (125136514) PubChem (58330571) PubChem (60170302) PubChem (70329566) PubChem (89334570) 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 | 105 | Chemie (DOD) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 32 | Val 532 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Val 47 | Ile 547 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
| Ala 67 | Cys 567 | engineered mutation |
| Ile 82 | Val 582 | engineered mutation |
| Ala 95 | Cys 595 | 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 |
