3K1W
New Classes of Potent and Bioavailable Human 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, F (A, B) | 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide | non-polymer | 597.9 | 2 | Chemie (BFX) | |||
| 3 | D, H (A, B) | FORMIC ACID | non-polymer | 46.0 | 2 | Chemie (FMT) | |||
| 4 | E (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 5 | G (B) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 6 | I (B) | 2-acetylamino-2-deoxy-alpha-L-idopyranose | non-polymer | 221.2 | 1 | Chemie (HSQ) | |||
| 7 | J, K (A, B) | water | water | 18.0 | 627 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 340 (UniProt: P00797)
| PDB | External Database | Details |
|---|---|---|
| His 341 | - | 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 | 1765.8 | |
| All* | Total formula weight | 76576.1 |
