5MW3
Crystal structure of Dot1L in complex with inhibitor CPD1 [N6-(2,6-dichlorophenyl)-N6-(pent-2-yn-1-yl)quinoline-4,6-diamine] and inhibitor CPD2 [(R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine]
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~6~-(2,6-dichlorophenyl)-N~6~-(pent-2-yn-1-yl)quinoline-4,6-diamine | non-polymer | 370.3 | 2 | Chemie (5JJ) | |||
| 3 | D, G (A, B) | (3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-amine | non-polymer | 217.3 | 2 | Chemie (5JT) | |||
| 4 | E (A) | L(+)-TARTARIC ACID | non-polymer | 150.1 | 1 | Chemie (TLA) | |||
| 5 | H, I (A, B) | water | water | 18.0 | 374 | 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 | 5 |
| Total formula weight | 1325.2 | |
| All* | Total formula weight | 78238.4 |
