2Q1L
Design and Synthesis of Pyrrole-based, Hepatoselective 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, F, G, H (A, C, D) | (3R,5R)-7-[5-(ANILINOCARBONYL)-3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID | non-polymer | 576.6 | 4 | Chemie (882) | |||
| 3 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 485 | 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 | 4 |
| Total formula weight | 2306.5 | |
| All* | Total formula weight | 192224.7 |
