4K69
Crystal Structure of Human Chymase in Complex with Fragment Linked Benzimidazolone Inhibitor: (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid
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) | Alpha-chymase, Mast cell protease I |
| 2 | B, C (A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D (A) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) | |||
| 4 | E (A) | (3S)-3-{3-[(6-bromo-2-oxo-2,3-dihydro-1H-indol-4-yl)methyl]-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl}hexanoic acid | non-polymer | 472.3 | 1 | Chemie (1P9) | |||
| 5 | F (A) | water | water | 18.0 | 279 | Chemie (HOH) |
Sequence modifications
A: 16 - 245 (UniProt: P23946)
| PDB | External Database | Details |
|---|---|---|
| Lys 127 | Phe 135 | conflict |
| Ala 208 | Val 212 | conflict |
| Gln 235 | Arg 237 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 24991.9 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 824.4 | |
| All* | Total formula weight | 25816.2 |
