4Q1N
Structure-based design of 4-hydroxy-3,5-substituted piperidines as direct renin 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 | Renin | polymer | 340 | 37267.0 | 2 | UniProt (P00797) Pfam (PF00026) In PDB | Homo sapiens (human) | Angiotensinogenase |
| 2 | A, B | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 3 | Chemie (DMS) | |||
| 3 | A, B | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 4 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 5 | A, B | (3S,4R,5R)-N-cyclopropyl-N'-[(2R)-1-ethoxy-4-methylpentan-2-yl]-4-hydroxy-N-[5-(propan-2-yl)pyridin-2-yl]piperidine-3,5-dicarboxamide | non-polymer | 474.6 | 2 | Chemie (2Y9) | |||
| 6 | water | water | 18.0 | 415 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74534.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1721.1 | |
| All* | Total formula weight | 76255.1 |
