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) PubChem (175) | |||
| 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) PubChem (54217552) PubChem (54217553) PubChem (54592289) PubChem (67020344) PubChem (4451) PubChem (58649028) PubChem (92169363) PubChem (5279250) PubChem (121366724) PubChem (59908248) PubChem (129010286) PubChem (10578931) PubChem (10721715) PubChem (71055744) PubChem (73265381) PubChem (73707414) PubChem (12031087) PubChem (137704597) PubChem (138107019) PubChem (64143) PubChem (15380025) PubChem (15380026) PubChem (92143146) PubChem (92209966) PubChem (92209967) PubChem (480161) PubChem (118986644) PubChem (122130286) PubChem (124870678) PubChem (124870679) PubChem (6540553) PubChem (6540606) PubChem (129606837) PubChem (12047302) PubChem (141869355) PubChem (145813677) | |||
| 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 |
