6MKL
X-ray crystal structure of darunavir-resistant-P51 HIV-1 protease in complex with GRL-142
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 | 10875.7 | 2 | UniProt (O38893) Pfam (PF00077) UniProt (by SIFTS) (A0A4P8EW36) In PDB | Human immunodeficiency virus 1 | |
| 2 | A | (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]carbamate | non-polymer | 706.8 | 1 | Chemie (7OA) | |||
| 3 | water | water | 18.0 | 197 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: O38893)
| PDB | External Database | Details |
|---|---|---|
| Ile 32 | Val 32 | conflict |
| Phe 33 | Leu 33 | conflict |
| Met 54 | Val 54 | conflict |
| Ile 82 | Ala 82 | conflict |
| Val 84 | Ile 84 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21751.4 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 706.8 | |
| All* | Total formula weight | 22458.3 |
