3TKG
crystal structure of HIV model protease precursor/saquinavir complex
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 | Protease | polymer | 103 | 11236.2 | 4 | UniProt (P03367) Pfam (PF00077) UniProt (by SIFTS) (P03366) In PDB | Human immunodeficiency virus type 1 (HIV-1) | |
| 2 | A, B, C, D | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 3 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | B, C | (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) | |||
| 5 | water | water | 18.0 | 260 | Chemie (HOH) |
Sequence modifications
A, B, C, D: -4 - 99 (UniProt: P03367)
| PDB | External Database | Details |
|---|---|---|
| Lys 7 | Gln 507 | conflict |
| Ile 33 | Leu 533 | conflict |
| Ile 63 | Leu 563 | conflict |
| Ala 67 | Cys 567 | conflict |
| Ala 95 | Cys 595 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 44944.8 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1575.6 | |
| All* | Total formula weight | 46520.4 |
