3EL0
Crystal structure of the inhibitor Nelfinavir (NFV) in complex with a multi-drug resistant HIV-1 protease variant (L10I/G48V/I54V/V64I/V82A) (Refer: FLAP+ in citation)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Protease | polymer | 99 | 10815.8 | 2 | UniProt (P03369) Pfam (PF00077) In PDB | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | A | 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) | |||
| 3 | A | PHOSPHATE ION | non-polymer | 95.0 | 2 | Chemie (PO4) | |||
| 4 | A, B | ACETATE ION | non-polymer | 59.0 | 5 | Chemie (ACT) | |||
| 5 | water | water | 18.0 | 125 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 497 | engineered mutation |
| Ile 10 | Leu 500 | engineered mutation |
| Val 48 | Gly 538 | engineered mutation |
| Val 54 | Ile 544 | engineered mutation |
| Ile 64 | Val 554 | engineered mutation |
| Ala 82 | Val 572 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21631.6 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1052.9 | |
| All* | Total formula weight | 22684.5 |
