4N7J
Tailoring Small Molecules for an Allosteric Site on 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 | Caspase-6 | polymer | 282 | 32313.9 | 2 | UniProt (P55212) Pfam (PF00656) In PDB | Homo sapiens (human) | CASP-6, Apoptotic protease Mch-2, Caspase-6 subunit p18, Caspase-6 subunit p11 |
2 | A, B | PHOSPHATE ION | non-polymer | 95.0 | 5 | Chemie (PO4) | |||
3 | B | 3-(pyrrolidin-1-yl)isoquinolin-1(2H)-one | non-polymer | 214.3 | 1 | Chemie (2GQ) | |||
4 | water | water | 18.0 | 340 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 293 (UniProt: P55212)
PDB | External Database | Details |
---|---|---|
Met 21 | - | initiating methionine |
Gly 22 | - | expression tag |
Ser 23 | - | expression tag |
Ala 163 | Cys 163 | engineered mutation |
Gly 294 | - | expression tag |
Asn 295 | - | expression tag |
Ser 296 | - | expression tag |
His 297 | - | expression tag |
His 298 | - | expression tag |
His 299 | - | expression tag |
His 300 | - | expression tag |
His 301 | - | expression tag |
His 302 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 64627.7 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 689.1 | |
All* | Total formula weight | 65316.8 |