2NNP
Crystal structure analysis of HIV-1 protease mutant I84V with a inhibitor saquinavir
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) | PROTEASE | polymer | 99 | 10726.6 | 2 | UniProt (P04587) Pfam (PF00077) UniProt (by SIFTS) (Q7SSI0) | Human immunodeficiency virus 1 | RETROPEPSIN, PR |
| 2 | C (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) | |||
| 3 | D, H (A, B) | ACETIC ACID | non-polymer | 60.1 | 2 | Chemie (ACY) | |||
| 4 | E, F (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 5 | G (B) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 6 | I, J (A, B) | water | water | 18.0 | 171 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: P04587)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 506 | engineered mutation |
| Ile 33 | Leu 532 | engineered mutation |
| Ile 63 | Leu 562 | engineered mutation |
| Ala 67 | Cys 566 | engineered mutation |
| Val 84 | Ile 583 | engineered mutation |
| Ala 95 | Cys 594 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21453.3 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1071.2 | |
| All* | Total formula weight | 22524.5 |
