3NDT
HIV-1 Protease Saquinavir:Ritonavir 1:1 complex structure
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Protease | polymer | 100 | 10767.7 | 4 | UniProt (P03366) | Human immunodeficiency virus type 1 BH10 (HIV-1) | PR, Retropepsin |
| 2 | E, S (A, D) | (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 | 2 | BIRD (PRD_000454) Chemie (ROC) PubChem (44341147) PubChem (44302795) PubChem (59793479) PubChem (59871017) PubChem (59923166) PubChem (441243) PubChem (66577040) PubChem (67631661) PubChem (454468) PubChem (454469) PubChem (454470) PubChem (466470) PubChem (59964683) PubChem (86575993) PubChem (67631659) PubChem (3000788) PubChem (60787) PubChem (60935) PubChem (90772039) PubChem (3579812) PubChem (118718788) PubChem (5472919) PubChem (126968593) PubChem (129626579) PubChem (6604589) PubChem (101609863) PubChem (134694388) PubChem (140571999) PubChem (11422480) PubChem (124587484) PubChem (15107606) PubChem (129626581) PubChem (131839596) PubChem (135285682) PubChem (146347457) | |||
| 3 | F, J, K, L, M... (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 7 | Chemie (CL) PubChem (312) | |||
| 4 | G, H, Q, R (A, C) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 4 | Chemie (DMS) PubChem (679) | |||
| 5 | I, O (B, C) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) PubChem (923) | |||
| 6 | T, U, V, W (A, B, C, D) | water | water | 18.0 | 135 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 100 (UniProt: P03366)
| PDB | External Database | Details |
|---|---|---|
| Arf 1 | - | insertion |
| Lys 8 | Gln 7 | engineered mutation |
| Ile 34 | Leu 33 | engineered mutation |
| Ile 64 | Leu 63 | engineered mutation |
| Ala 68 | Cys 67 | engineered mutation |
| Ala 96 | Cys 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 43070.8 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1948.4 | |
| All* | Total formula weight | 45019.2 |
