3N7O
X-ray structure of human chymase in complex with small molecule inhibitor.
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 | 25009.9 | 1 | UniProt (P23946) Pfam (PF00089) | Homo sapiens (human) | Alpha-chymase, Mast cell protease I |
| 2 | B, C (B, C) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D (A) | (S)-[(1S)-1-(5-chloro-1-benzothiophen-3-yl)-2-{[(E)-2-(3,4-difluorophenyl)ethenyl]amino}-2-oxoethyl]methylphosphinic acid | non-polymer | 441.8 | 1 | Chemie (N7O) | |||
| 4 | E, F (A) | UNKNOWN LIGAND | non-polymer | 2 | Chemie (UNL) | ||||
| 5 | G (A) | water | water | 18.0 | 162 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P23946)
| PDB | External Database | Details |
|---|---|---|
| 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 | 25009.9 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 848.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 441.8 | |
| All* | Total formula weight | 26300.5 |
