2HVX
Discovery of Potent, Orally Active, Nonpeptide Inhibitors of Human Mast Cell Chymase by Using Structure-Based Drug Design
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chymase | polymer | 226 | 24991.9 | 1 | UniProt (P23946) Pfam (PF00089) | Homo sapiens (human) | Mast cell protease I |
| 2 | B (A) | [(1S)-1-(5-CHLORO-1-BENZOTHIEN-3-YL)-2-(2-NAPHTHYLAMINO)-2-OXOETHYL]PHOSPHONIC ACID | non-polymer | 431.8 | 1 | Chemie (DRX) | |||
| 3 | C (A) | water | water | 18.0 | 106 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P23946)
| PDB | External Database | Details |
|---|---|---|
| Lys 127 | Phe 135 | engineered mutation |
| Ala 208 | Val 212 | engineered mutation |
| Gln 235 | Arg 237 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24991.9 | |
| Non-Polymers* | Number of molecules | 1 |
| Total formula weight | 431.8 | |
| All* | Total formula weight | 25423.7 |
