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) | 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) PubChem (441243) PubChem (44341147) PubChem (454468) PubChem (454469) PubChem (454470) PubChem (466470) PubChem (44302795) PubChem (59793479) PubChem (59871017) PubChem (59923166) PubChem (66577040) PubChem (67631661) PubChem (59964683) PubChem (67631659) PubChem (5472919) PubChem (3000788) PubChem (86575993) PubChem (60787) PubChem (60935) PubChem (6604589) PubChem (90772039) PubChem (11422480) PubChem (3579812) PubChem (118718788) PubChem (101609863) PubChem (126968593) PubChem (129626579) PubChem (134694388) PubChem (124587484) PubChem (140571999) PubChem (129626581) PubChem (131839596) PubChem (15107606) PubChem (135285682) PubChem (146347457) | |||
| 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) PubChem (753) | |||
| 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 |
