2JE4
Atomic-resolution crystal structure of chemically-synthesized HIV-1 protease in complex with JG-365
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 | 10745.6 | 2 | UniProt (O38716) Pfam (PF00077) UniProt (by SIFTS) (P03369) | HUMAN IMMUNODEFICIENCY VIRUS 1 | HIV1-PROTEASE |
| 2 | C (C) | INHIBITOR MOLECULE JG365 | polymer | 7 | 845.0 | 1 | BIRD (PRD_000228) | SYNTHETIC CONSTRUCT | |
| 3 | D, E, L, M (A, B) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 4 | F, G, H (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | I, J, K, N, O (A, B) | SULFATE ION | non-polymer | 96.1 | 5 | Chemie (SO4) | |||
| 6 | P, Q (A, B) | water | water | 18.0 | 394 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: O38716)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | conflict |
| Ile 33 | Leu 33 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 22336.3 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 992.8 | |
| All* | Total formula weight | 23329.1 |
