2AID
STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN
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) | HUMAN IMMUNODEFICIENCY VIRUS PROTEASE | polymer | 99 | 10801.8 | 2 | UniProt (P03369) Pfam (PF00077) | Human immunodeficiency virus 1 | HIV PROTEASE, HIV PR |
| 2 | C, E (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | D, F (A, B) | 4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OL | non-polymer | 452.0 | 2 | Chemie (THK) | |||
| 4 | G, H (A, B) | water | water | 18.0 | 106 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 63 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21603.5 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 975.0 | |
| All* | Total formula weight | 22578.5 |
