3OAG
Design and optimization of new piperidines as 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, C (A, C) | Renin | polymer | 166 | 18225.5 | 2 | UniProt (P00797) Pfam (PF00026) | Homo sapiens (human) | |
| 2 | B, D (B, D) | Renin | polymer | 176 | 19430.1 | 2 | UniProt (P00797) Pfam (PF00026) | Homo sapiens (human) | |
| 3 | E, G (A, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
| 4 | F, H (A, C) | (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide | non-polymer | 658.1 | 2 | Chemie (LPQ) | |||
| 5 | I, J, K, L (A, B, C, D) | water | water | 18.0 | 180 | Chemie (HOH) |
Sequence modifications
B, D: 171 - 340 (UniProt: P00797)
| PDB | External Database | Details |
|---|---|---|
| His 341 | - | expression tag |
| His 342 | - | expression tag |
| His 343 | - | expression tag |
| His 344 | - | expression tag |
| His 345 | - | expression tag |
| His 346 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 75311.0 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1758.5 | |
| All* | Total formula weight | 77069.6 |
