4EJ8
Apo HIV Protease (PR) dimer in closed form with fragment 1F1 in the outside/top of flap
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 | 10767.7 | 2 | UniProt (P12499) Pfam (PF00077) | Human immunodeficiency virus 1 | PR, Retropepsin |
| 2 | C, D, E, I, J (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 3 | F, G, K, L (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 4 | Chemie (EDO) | |||
| 4 | H (A) | 1H-indole-6-carboxylic acid | non-polymer | 161.2 | 1 | Chemie (1F1) | |||
| 5 | M, N (A, B) | water | water | 18.0 | 120 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P12499)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 496 | engineered mutation |
| Ile 33 | Leu 522 | engineered mutation |
| Arg 41 | Lys 530 | conflict |
| Ile 63 | Leu 552 | engineered mutation |
| Ala 67 | Cys 556 | engineered mutation |
| Ala 95 | Cys 584 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21535.4 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 800.1 | |
| All* | Total formula weight | 22335.5 |
