5KH9
Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Histone deacetylase 6 | polymer | 107 | 11932.6 | 1 | UniProt (Q9UBN7) Pfam (PF02148) | Homo sapiens (Human) | HD6 |
| 2 | B, C, D (A) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 3 | E (A) | FORMIC ACID | non-polymer | 46.0 | 1 | Chemie (FMT) | |||
| 4 | F (A) | 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one | non-polymer | 244.3 | 1 | Chemie (6T5) | |||
| 5 | AA, BA, CA, DA, EA... (A) | UNKNOWN ATOM OR ION | non-polymer | 33 | Chemie (UNX) | ||||
| 6 | NA (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 7 | OA (A) | water | water | 18.0 | 79 | Chemie (HOH) |
Sequence modifications
A: 1109 - 1213 (UniProt: Q9UBN7)
| PDB | External Database | Details |
|---|---|---|
| Gly 1107 | - | expression tag |
| Ser 1108 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 11932.6 | |
| Non-Polymers* | Number of molecules | 39 |
| Total formula weight | 509.5 | |
| All* | Total formula weight | 12442.1 |
