6HRQ
Crystal structure of Schistosoma mansoni HDAC8 complexed with NCC-149
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 (A, B, C, D) | Histone deacetylase | polymer | 447 | 50583.0 | 4 | UniProt (A5H660) Pfam (PF00850) | Schistosoma mansoni (Blood fluke) | |
| 2 | E, HA, P, UA (A, C, B, D) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 3 | F, G, IA, JA, Q... (A, C, B, D) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) | |||
| 4 | H, KA, S, XA (A, C, B, D) | ~{N}-oxidanyl-3-[1-(phenylsulfanylmethyl)-1,2,3-triazol-4-yl]benzamide | non-polymer | 326.4 | 4 | Chemie (GM5) | |||
| 5 | AA, AB, BA, BB, CA... (B, D, A, C) | DIMETHYLFORMAMIDE | non-polymer | 73.1 | 28 | Chemie (DMF) | |||
| 6 | DA, DB, EA, EB, FA... (B, D, A, C) | GLYCEROL | non-polymer | 92.1 | 13 | Chemie (GOL) | |||
| 7 | JB, KB, LB, MB (A, B, C, D) | water | water | 18.0 | 1160 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 440 (UniProt: A5H660)
| PDB | External Database | Details |
|---|---|---|
| His 0 | - | expression tag |
| 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 | 202332.1 | |
| Non-Polymers* | Number of molecules | 57 |
| Total formula weight | 5123.8 | |
| All* | Total formula weight | 207455.9 |
