3I6O
Crystal structure of wild type HIV-1 protease with macrocyclic inhibitor GRL-0216A
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 | 10740.7 | 2 | UniProt (P03367) Pfam (PF00077) | Human immunodeficiency virus type 1 (BRU ISOLATE) (HIV-1) | |
| 2 | C, M (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 3 | D, E, F, G, H... (A, B) | IODIDE ION | non-polymer | 126.9 | 19 | Chemie (IOD) | |||
| 4 | L, Z (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | Y (B) | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate | non-polymer | 630.7 | 1 | Chemie (GR6) | |||
| 6 | AA, BA (A, B) | water | water | 18.0 | 181 | 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 |
| 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 | 21481.4 | |
| Non-Polymers* | Number of molecules | 24 |
| Total formula weight | 3272.1 | |
| All* | Total formula weight | 24753.4 |
