3EM6
Crystal structure of I50L/A71V mutant of hiv-1 protease in complex with inhibitor darunavir
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 | 10829.8 | 2 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 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 (23545473) PubChem (44400512) PubChem (44578485) PubChem (66725685) PubChem (3001874) PubChem (89394603) PubChem (102206609) PubChem (6320435) PubChem (52949690) PubChem (125136514) PubChem (58330571) PubChem (60170302) PubChem (70329566) PubChem (89334570) PubChem (101897907) PubChem (102206607) PubChem (102206608) PubChem (118243427) PubChem (118243428) PubChem (118243429) PubChem (213039) PubChem (125136515) PubChem (6320436) PubChem (6320437) 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, F, H, I (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 5 | Chemie (PO4) PubChem (1061) | |||
| 4 | G, J, K (A, B) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) PubChem (175) | |||
| 5 | L, M (A, B) | water | water | 18.0 | 108 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Leu 50 | Ile 540 | engineered mutation |
| Val 71 | Ala 561 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21659.6 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1199.7 | |
| All* | Total formula weight | 22859.3 |
