4CQF
Crystal structure of Schistosoma mansoni HDAC8 complexed with a mercaptoacetamide inhibitor
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 | HISTONE DEACETYLASE 8 | polymer | 446 | 50444.9 | 4 | UniProt (A5H660) Pfam (PF00850) In PDB | SCHISTOSOMA MANSONI | |
2 | A, D, B, C | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
3 | A, D, B, C | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
4 | A, D, B, C | 6-(2-Mercaptoacetylamino)-N-phenylhexanamide | non-polymer | 280.4 | 4 | Chemie (9Z8) | |||
5 | C, A, D, B | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 11 | Chemie (DMF) | |||
6 | C, D, B | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
7 | water | water | 18.0 | 451 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 440 (UniProt: A5H660)
PDB | External Database | Details |
---|---|---|
Gly 441 | - | expression tag |
Ser 442 | - | expression tag |
Leu 443 | - | expression tag |
Val 444 | - | expression tag |
Pro 445 | - | expression tag |
Arg 446 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 201779.5 | |
Non-Polymers* | Number of molecules | 34 |
Total formula weight | 3144.7 | |
All* | Total formula weight | 204924.2 |