3BVB
Cystal structure of HIV-1 Active Site Mutant D25N and 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 (Retropepsin) | polymer | 99 | 10739.7 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus 1 | (PR) |
| 2 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) PubChem (923) | |||
| 3 | D (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) PubChem (312) | |||
| 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 (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) | |||
| 5 | F (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 6 | G, H (A, B) | water | water | 18.0 | 196 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Asn 25 | Asp 525 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Ile 63 | Leu 563 | engineered mutation |
| Ala 67 | Cys 567 | engineered mutation |
| Ala 95 | Cys 595 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21479.4 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 698.2 | |
| All* | Total formula weight | 22177.6 |
