3OAD
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 | Renin | polymer | 166 | 18225.5 | 2 | UniProt (P00797) Pfam (PF00026) In PDB | Homo sapiens (human) | Angiotensinogenase |
2 | B, D | Renin | polymer | 176 | 19430.1 | 2 | UniProt (P00797) Pfam (PF00026) In PDB | Homo sapiens (human) | |
3 | A, C | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 2 | Chemie (NAG) | |||
4 | A, C | (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide | non-polymer | 663.0 | 2 | Chemie (LPO) | |||
5 | water | water | 18.0 | 145 | 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 | 1768.5 | |
All* | Total formula weight | 77079.5 |