3E0P
The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | B | Prostasin | polymer | 271 | 29608.0 | 1 | UniProt (Q16651) Pfam (PF00089) In PDB | Homo sapiens (human) | Serine protease 8, Prostasin light chain, Prostasin heavy chain |
2 | B | benzyl [(1R)-1-({(2S,4R)-2-({(1S)-5-amino-1-[(S)-1,3-benzoxazol-2-yl(hydroxy)methyl]pentyl}carbamoyl)-4-[(4-methylbenzyl)oxy]pyrrolidin-1-yl}carbonyl)-3-phenylpropyl]carbamate | non-polymer | 761.9 | 1 | Chemie (B3C) | |||
3 | B | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
4 | water | water | 18.0 | 206 | Chemie (HOH) |
Sequence modifications
B: 16 - 262 (UniProt: Q16651)
PDB | External Database | Details |
---|---|---|
Ser 122 | Cys 154 | engineered mutation |
Gln 127 | Asn 159 | engineered mutation |
Ser 170 | Cys 203 | engineered mutation |
His 263 | - | expression tag |
His 264 | - | expression tag |
His 265 | - | expression tag |
His 266 | - | expression tag |
His 267 | - | expression tag |
His 268 | - | expression tag |
His 269 | - | expression tag |
His 270 | - | expression tag |
His 271 | - | expression tag |
His 272 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 29608.0 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 854.0 | |
All* | Total formula weight | 30462.0 |