5SY3
Structure-based design of a new series of N-piperidin-3-ylpyrimidine-5-carboxamides 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, B (A, B) | Renin | polymer | 339 | 37153.9 | 2 | UniProt (P00797) Pfam (PF00026) | Homo sapiens (Human) | Angiotensinogenase |
| 2 | C (C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | E (A) | N-[(furan-2-yl)methyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine | non-polymer | 285.4 | 1 | Chemie (74Z) | |||
| 5 | F, G, H, I, J... (A, B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 12 | Chemie (DMS) | |||
| 6 | K, O (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 7 | L, N (A, B) | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 2 | Chemie (1PE) | |||
| 8 | V, W (A, B) | water | water | 18.0 | 379 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74307.7 | |
| Branched | Number of molecules | 1 |
| Total formula weight | 424.4 | |
| Non-Polymers* | Number of molecules | 18 |
| Total formula weight | 2133.0 | |
| All* | Total formula weight | 76865.1 |
