3EL5
Crystal structure of nelfinavir (NFV) complexed with a multidrug variant (ACT) (V82T/I84V) of HIV-1 protease
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 | 10831.8 | 2 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | C, D, E, F, G... (A, B) | ACETATE ION | non-polymer | 59.0 | 11 | Chemie (ACT) | |||
| 3 | I (B) | 2-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-BENZOYLAMINO)-4-PHENYL SULFANYL-BUTYL]-DECAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID TERT-BUTYLAMIDE | non-polymer | 567.8 | 1 | Chemie (1UN) | |||
| 4 | O, P (A, B) | water | water | 18.0 | 262 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Arg 41 | Lys 531 | engineered mutation |
| Ile 64 | Val 554 | engineered mutation |
| Thr 82 | Val 572 | engineered mutation |
| Val 84 | Ile 574 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21663.5 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1217.3 | |
| All* | Total formula weight | 22880.8 |
