3NDW
HIV-1 Protease Saquinavir:Ritonavir 1:15 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 (A, B) | Protease | polymer | 99 | 10740.7 | 2 | UniProt (Q7SSI0) Pfam (PF00077) UniProt (by SIFTS) (P03367) | Human immunodeficiency virus 1 | |
| 2 | C (A) | RITONAVIR | non-polymer | 720.9 | 1 | BIRD (PRD_001001) Chemie (RIT) PubChem (44325718) PubChem (45266310) PubChem (16760215) PubChem (53487909) PubChem (54103495) PubChem (58662536) PubChem (455315) PubChem (92402731) PubChem (93535511) PubChem (93535509) PubChem (66509020) PubChem (9853294) PubChem (72942039) PubChem (72942040) PubChem (135172324) PubChem (5076) PubChem (60954) PubChem (90717239) PubChem (392622) PubChem (93535510) PubChem (123133890) PubChem (133662525) PubChem (134602828) PubChem (134751724) PubChem (10395099) PubChem (141861627) PubChem (169446189) PubChem (169446190) PubChem (170130299) | |||
| 3 | D, G, H (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) PubChem (679) | |||
| 4 | E, I (A, B) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | F, K (A, B) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) PubChem (923) | |||
| 6 | J (B) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 7 | L, M (A, B) | water | water | 18.0 | 234 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 99 (UniProt: Q7SSI0)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 7 | engineered mutation |
| Ile 33 | Leu 33 | engineered mutation |
| Ile 63 | Leu 63 | engineered mutation |
| Ala 67 | Cys 67 | engineered mutation |
| Ala 95 | Ser 95 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 21481.4 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1252.5 | |
| All* | Total formula weight | 22733.8 |
