5DSX
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Histone-lysine N-methyltransferase, H3 lysine-79 specific | polymer | 334 | 38456.6 | 2 | UniProt (Q8TEK3) Pfam (PF08123) In PDB | Homo sapiens (Human) | DOT1-like protein,Histone H3-K79 methyltransferase,H3-K79-HMTase,Lysine N-methyltransferase 4 |
| 2 | A, B | POTASSIUM ION | non-polymer | 39.1 | 2 | Chemie (K) | |||
| 3 | A, B | 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one | non-polymer | 486.0 | 2 | Chemie (5EW) | |||
| 4 | water | water | 18.0 | 198 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 332 (UniProt: Q8TEK3)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Pro 1 | - | expression tag |
| Gly 333 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 76913.2 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1050.1 | |
| All* | Total formula weight | 77963.3 |
