3NDU
HIV-1 Protease Saquinavir:Ritonavir 1:5 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 (Q7SSI0) Pfam (PF00077) UniProt (by SIFTS) (P03367) | Human immunodeficiency virus 1 | |
| 2 | E, Z (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) | |||
| 3 | AA, F, M, T, U (D, A, B, C) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 5 | Chemie (DMS) | |||
| 4 | G, K, R, X (A, B, C) | ACETATE ION | non-polymer | 59.0 | 4 | Chemie (ACT) | |||
| 5 | H, L, O, P, V... (A, B, C) | CHLORIDE ION | non-polymer | 35.5 | 6 | Chemie (CL) | |||
| 6 | I, N, Y (A, B, C) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 7 | J, Q, S (A, B) | SODIUM ION | non-polymer | 23.0 | 3 | Chemie (NA) | |||
| 8 | BA, CA, DA, EA (A, B, C, D) | water | water | 18.0 | 262 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 2 - 100 (UniProt: Q7SSI0)
| 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 | Ser 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 | 23 |
| Total formula weight | 2526.5 | |
| All* | Total formula weight | 45597.3 |
