3TKW
Crystal structure of HIV protease model precursor/Darunavir complex
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 | 103 | 11236.2 | 2 | UniProt (P03367) UniProt (by SIFTS) (P03366) | Human immunodeficiency virus type 1 (HIV-1) | |
| 2 | C, H, I (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) PubChem (312) | |||
| 3 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 4 | E (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 (102206608) PubChem (102206609) PubChem (129010372) PubChem (134694394) PubChem (137704505) PubChem (137704865) PubChem (138631483) PubChem (138631484) PubChem (156183911) PubChem (213039) PubChem (118243427) PubChem (118243428) PubChem (118243429) PubChem (3001874) PubChem (6320435) PubChem (6320437) PubChem (125136514) PubChem (125136515) PubChem (131632443) PubChem (131667685) PubChem (138631622) PubChem (144227995) PubChem (145507139) PubChem (23545473) PubChem (147231834) PubChem (156183881) PubChem (44400512) PubChem (44578485) PubChem (58330571) PubChem (171370671) PubChem (66725685) PubChem (6320436) PubChem (89334570) PubChem (89394603) PubChem (101897907) PubChem (102206607) PubChem (52949690) PubChem (60170302) PubChem (70329566) | |||
| 5 | F, G (B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) PubChem (753) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 133 | Chemie (HOH) |
Sequence modifications
A, B: -3 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | conflict |
| Ile 33 | Leu 533 | conflict |
| Ile 63 | Leu 563 | conflict |
| Ala 67 | Cys 567 | conflict |
| Ala 95 | Cys 595 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 22472.4 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 861.2 | |
| All* | Total formula weight | 23333.6 |
