4MC6
HIV protease in complex with SA499
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 | 10804.8 | 2 | UniProt (P0C6F2) Pfam (PF00077) | Human immunodeficiency virus 1 (HIV-1) | PR, Retropepsin |
| 2 | C (A) | 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea | non-polymer | 519.7 | 1 | Chemie (23K) | |||
| 3 | D (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 4 | E, F, G (A, B) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 276 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P0C6F2)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 495 | engineered mutation |
| Ile 33 | Leu 521 | engineered mutation |
| Ile 63 | Leu 551 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21609.6 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 688.1 | |
| All* | Total formula weight | 22297.7 |
