3T6I
Endothiapepsin in complex with an azepin derivative
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Endothiapepsin | polymer | 330 | 33813.9 | 1 | UniProt (P11838) Pfam (PF00026) In PDB | Cryphonectria parasitica (Chesnut blight fungus) | Aspartate protease |
| 2 | A | (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium | non-polymer | 578.5 | 1 | Chemie (NC8) | |||
| 3 | A | (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium | non-polymer | 395.5 | 1 | Chemie (NC9) | |||
| 4 | A | 4-bromobenzoic acid | non-polymer | 201.0 | 1 | Chemie (Z82) | |||
| 5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | A | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 8 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 9 | water | water | 18.0 | 372 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 33813.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1554.9 | |
| All* | Total formula weight | 35368.8 |
