2QD6
HIV-1 Protease Mutant I50V with potent Antiviral inhibitor GRL-98065
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 | 10726.6 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus 1 | |
| 2 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | D, E (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | F, G (B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 5 | H (B) | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(2S,3R)-3-HYDROXY-4-(N-ISOBUTYLBENZO[D][1,3]DIOXOLE-5-SULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE | non-polymer | 576.7 | 1 | Chemie (065) | |||
| 6 | I, J (A, B) | water | water | 18.0 | 150 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | engineered mutation |
| Ile 33 | Leu 533 | engineered mutation |
| Val 50 | Ile 550 | 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 | 21453.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 788.6 | |
| All* | Total formula weight | 22241.9 |
