6MR5
Crystal Structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with a mercaptoacetamide-based 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 | Hdac6 protein | polymer | 364 | 40285.5 | 2 | UniProt (A7YT55) Pfam (PF00850) UniProt (by SIFTS) (F8W4B7) In PDB | Danio rerio (Zebrafish) | |
| 2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | A, B | POTASSIUM ION | non-polymer | 39.1 | 4 | Chemie (K) | |||
| 4 | A, B | N-[5-(5,6-dichloro-1H-indol-1-yl)pentyl]-2-sulfanylacetamide | non-polymer | 345.3 | 2 | Chemie (W45) | |||
| 5 | A, B | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 2 | Chemie (PEG) | |||
| 6 | B | CITRATE ANION | non-polymer | 189.1 | 1 | Chemie (FLC) | |||
| 7 | B | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 8 | water | water | 18.0 | 323 | Chemie (HOH) |
Sequence modifications
A, B: 440 - 798 (UniProt: A7YT55)
| PDB | External Database | Details |
|---|---|---|
| Ser 435 | - | expression tag |
| Asn 436 | - | expression tag |
| Ala 437 | - | expression tag |
| Gly 438 | - | expression tag |
| Gly 439 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80571.0 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 1441.2 | |
| All* | Total formula weight | 82012.2 |
