3D1Y
Crystal structure of HIV-1 mutant I54V and inhibitor SAQUINA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | HIV-1 Protease | polymer | 99 | 10726.6 | 2 | UniProt (P04587) Pfam (PF00077) In PDB | Human immunodeficiency virus type 1 (HIV-1) | Retropepsin, PR |
| 2 | A | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 3 | A, B | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 4 | A | (2S)-N-[(2S,3R)-4-[(2S,3S,4aS,8aS)-3-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-hydroxy-1 -phenyl-butan-2-yl]-2-(quinolin-2-ylcarbonylamino)butanediamide | non-polymer | 670.8 | 1 | BIRD (PRD_000454) Chemie (ROC) | |||
| 5 | water | water | 18.0 | 223 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P04587)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | SEE REMARK 999 |
| Ile 33 | Leu 533 | SEE REMARK 999 |
| Val 54 | Ile 554 | engineered mutation |
| Ile 63 | Leu 563 | SEE REMARK 999 |
| Ala 67 | Cys 567 | SEE REMARK 999 |
| Ala 95 | Cys 595 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21453.3 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 764.7 | |
| All* | Total formula weight | 22218.0 |
