2HS2
Crystal structure of M46L mutant of HIV-1 protease complexed with TMC114 (darunavir)
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 | 10722.6 | 2 | UniProt (P03368) Pfam (PF00077) UniProt (by SIFTS) (Q7SSI0) In PDB | Human immunodeficiency virus 1 | Retropepsin, PR |
| 2 | A | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 3 | A, B | (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 | B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03368)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 506 | engineered mutation |
| Ile 33 | Leu 532 | engineered mutation |
| Leu 46 | Met 545 | engineered mutation |
| Ile 63 | Leu 562 | engineered mutation |
| Ala 67 | Cys 566 | engineered mutation |
| Ala 95 | Cys 594 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21445.3 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1244.4 | |
| All* | Total formula weight | 22689.6 |
