3CD5
Thermodynamic and structure guided design of statin hmg-coa reductase inhibitors
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) | 3-hydroxy-3-methylglutaryl-coenzyme A reductase | polymer | 441 | 47479.6 | 4 | UniProt (P04035) Pfam (PF00368) | Homo sapiens (Human) | HMG-CoA reductase |
| 2 | E, G, I, J (A, B, C, D) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 3 | F, H, K, L (A, B, D) | (3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-1(4H)-yl]-3,5-dihydroxyheptanoic acid | non-polymer | 518.6 | 4 | Chemie (7HI) | |||
| 4 | M, N, O, P (A, B, C, D) | water | water | 18.0 | 446 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 441 - 875 (UniProt: P04035)
| PDB | External Database | Details |
|---|---|---|
| His 435 | - | expression tag |
| His 436 | - | expression tag |
| His 437 | - | expression tag |
| His 438 | - | expression tag |
| His 439 | - | expression tag |
| His 440 | - | expression tag |
| Ile 485 | Met 485 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 189918.2 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2458.8 | |
| All* | Total formula weight | 192377.0 |
