3OWN
Potent macrocyclic 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 | 341 | 37405.2 | 2 | UniProt (P00797) Pfam (PF00026) | Homo sapiens (human) | Angiotensinogenase |
| 2 | C, D, G (A) | ACETATE ION | non-polymer | 59.0 | 3 | Chemie (ACT) | |||
| 3 | E, F (A) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 4 | H (A) | (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide | non-polymer | 692.9 | 1 | Chemie (3OX) | |||
| 5 | I (B) | (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide | non-polymer | 692.9 | 1 | Chemie (3OW) | |||
| 6 | J, K (A, B) | water | water | 18.0 | 343 | Chemie (HOH) |
Sequence modifications
A, B: -2 - 337 (UniProt: P00797)
| PDB | External Database | Details |
|---|---|---|
| His 338 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 74810.3 | |
| Non-Polymers* | Number of molecules | 7 |
| Total formula weight | 1608.8 | |
| All* | Total formula weight | 76419.1 |
