2F8G
HIV-1 protease mutant I50V complexed with inhibitor TMC114
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) | POL POLYPROTEIN | polymer | 99 | 10726.6 | 2 | UniProt (P04587) | Human immunodeficiency virus 1 | |
| 2 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 3 | D, F (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) PubChem (312) | |||
| 4 | E, H (A, B) | ACETIC ACID | non-polymer | 60.1 | 2 | Chemie (ACY) | |||
| 5 | G (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) | |||
| 6 | I (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 7 | J, K (A, B) | water | water | 18.0 | 205 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P04587)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 75 | engineered mutation |
| Ile 33 | Leu 101 | engineered mutation |
| Val 50 | Ile 118 | engineered mutation |
| Ile 63 | Leu 131 | engineered mutation |
| Ala 67 | Cys 135 | engineered mutation |
| Ala 95 | Cys 163 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21453.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 853.8 | |
| All* | Total formula weight | 22307.1 |
