3EKT
Crystal Structure of the inhibitor Darunavir (DRV) in complex with a multi-drug resistant HIV-1 protease variant (L10F/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, C, D (A, B, C, D) | Protease | polymer | 99 | 10815.8 | 4 | UniProt (P03369) Pfam (PF00077) | HIV-1 M:B_ARV2/SF2 (HIV-1) | Retropepsin, PR |
| 2 | E, F, H, L, M... (A, B, C, D) | ACETATE ION | non-polymer | 59.0 | 8 | Chemie (ACT) | |||
| 3 | G, N (B, D) | (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | non-polymer | 547.7 | 2 | Chemie (017) | |||
| 4 | I, J, K, O, P (C, D) | PHOSPHATE ION | non-polymer | 95.0 | 5 | Chemie (PO4) | |||
| 5 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 321 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 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 | 4 |
| Total formula weight | 43263.2 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 2042.5 | |
| All* | Total formula weight | 45305.7 |
