2HS1
Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor
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) | HIV-1 Protease | polymer | 99 | 10754.7 | 2 | UniProt (P03368) Pfam (PF00077) UniProt (by SIFTS) (P03366) | Human immunodeficiency virus 1 | |
| 2 | C, D, E (A) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 3 | F, G (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 | H (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 5 | I, J (A, B) | water | water | 18.0 | 258 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P03368)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 506 | engineered mutation |
| Ile 32 | Val 531 | engineered mutation |
| Ile 33 | Leu 532 | 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 | 21509.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1279.8 | |
| All* | Total formula weight | 22789.2 |
