5MW4
Crystal structure of Dot1L in complex with inhibitor CPD7 [N-(3-(((R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl)(methyl)amino)propyl)-2-(3-(2-chloro-3-(2-methylpyridin-3-yl)benzo[b]thiophen-5-yl)ureido)acetamide]
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) | Histone-lysine N-methyltransferase, H3 lysine-79 specific | polymer | 334 | 38456.6 | 2 | UniProt (Q8TEK3) Pfam (PF08123) | Homo sapiens (Human) | DOT1-like protein,Histone H3-K79 methyltransferase,H3-K79-HMTase,Lysine N-methyltransferase 4 |
| 2 | C, F (A, B) | N~2~-{[2-chloro-3-(2-methylpyridin-3-yl)-1-benzothiophen-5-yl]carbamoyl}-N-(3-{methyl[(3R)-1-(5H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]amino}propyl)glycinamide | non-polymer | 646.2 | 2 | Chemie (5JU) | |||
| 3 | D, E, G, H (A, B) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 4 | I, J (A, B) | water | water | 18.0 | 277 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 332 (UniProt: Q8TEK3)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Pro 1 | - | expression tag |
| Gly 333 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 76913.2 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 1676.7 | |
| All* | Total formula weight | 78589.8 |
