9GCD
CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH Fulacimstat (COMPOUND86)
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (AAA) | Chymase | polymer | 226 | 25019.9 | 1 | UniProt (P23946) Pfam (PF00089) | Homo sapiens (human) | Alpha-chymase,Mast cell protease I |
| 2 | B (AaA) | alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 748.7 | 1 | In PDB GlyTouCan (G22573RC) | |||
| 3 | C (AbA) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G42666HT) | |||
| 4 | D (AAA) | 1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid | non-polymer | 487.4 | 1 | Chemie (A1IJ2) | |||
| 5 | E (AAA) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 6 | F (AAA) | water | water | 18.0 | 252 | Chemie (HOH) |
Sequence modifications
AAA: 16 - 245 (UniProt: P23946)
| PDB | External Database | Details |
|---|---|---|
| Arg 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 | 25019.9 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 1173.1 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 552.8 | |
| All* | Total formula weight | 26745.7 |
