9HT1
A novel bottom-up approach to find lead-compounds in billion-sized libraries
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Bromodomain-containing protein 4 | polymer | 127 | 15099.4 | 2 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (human) | Protein HUNK1 |
| 2 | C (B) | 1-(2,8-dioxa-5-azaspiro[3.6]decan-5-yl)-2-[[5-methyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone | non-polymer | 388.5 | 1 | Chemie (A1IXE) | |||
| 3 | D (B) | HEXAETHYLENE GLYCOL | non-polymer | 282.3 | 1 | Chemie (P6G) | |||
| 4 | E, F (A, B) | water | water | 18.0 | 192 | Chemie (HOH) |
Sequence modifications
A, B: 44 - 168 (UniProt: O60885)
| PDB | External Database | Details |
|---|---|---|
| Ser 42 | - | expression tag |
| Met 43 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 30198.8 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 670.8 | |
| All* | Total formula weight | 30869.6 |
