8F9D
Compound 21 bound to procaspase-6
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D | Procaspase-6 | polymer | 299 | 34121.8 | 4 | UniProt (P55212) Pfam (PF00656) In PDB | Homo sapiens (human) | CASP-6,CSP-6,Apoptotic protease Mch-2 |
| 2 | B, D | 5-fluoro-2-({[(3M)-3-(1,2,4-oxadiazol-3-yl)pyridin-2-yl]amino}methyl)phenol | non-polymer | 286.3 | 2 | Chemie (XNK) | |||
| 3 | C | PENTAETHYLENE GLYCOL | non-polymer | 238.3 | 1 | Chemie (1PE) | |||
| 4 | D | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | D | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 6 | water | water | 18.0 | 188 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 293 (UniProt: P55212)
| PDB | External Database | Details |
|---|---|---|
| Ala 163 | Cys 163 | conflict |
| Glu 294 | - | expression tag |
| Asn 295 | - | expression tag |
| Leu 296 | - | expression tag |
| Tyr 297 | - | expression tag |
| Phe 298 | - | expression tag |
| Gln 299 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 136487.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 979.0 | |
| All* | Total formula weight | 137466.2 |
