5WLO
a novel 13-ring macrocyclic HIV-1 protease inhibitors involving the P1'-P2' ligands
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 (Q5RZ08) Pfam (PF00077) UniProt (by SIFTS) (Q72498) | Human immunodeficiency virus 1 | |
| 2 | C (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | D, E, G, H, I (A, B) | CHLORIDE ION | non-polymer | 35.5 | 5 | Chemie (CL) | |||
| 4 | F (B) | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate | non-polymer | 630.7 | 1 | Chemie (GR7) | |||
| 5 | J (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | K (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 191 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q5RZ08)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ala 95 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 982.1 | |
| All* | Total formula weight | 22463.5 |
