9HT2
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 (A) | Bromodomain-containing protein 4 | polymer | 127 | 15099.4 | 1 | UniProt (O60885) Pfam (PF00439) | Homo sapiens (human) | Protein HUNK1 |
| 2 | B (A) | methyl 2,2,6,6-tetramethyl-4-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]amino]oxane-4-carboxylate | non-polymer | 370.5 | 1 | Chemie (A1IXF) | |||
| 3 | C (A) | 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE | non-polymer | 162.2 | 1 | Chemie (P4G) | |||
| 4 | D (A) | water | water | 18.0 | 156 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
| Total formula weight | 15099.4 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 532.7 | |
| All* | Total formula weight | 15632.1 |
