4ER6
Crystal structure of human DOT1L in complex with inhibitor SGC0946
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Histone-lysine N-methyltransferase, H3 lysine-79 specific | polymer | 413 | 47050.5 | 1 | UniProt (Q8TEK3) Pfam (PF08123) | Homo sapiens (human) | DOT1-like protein, Histone H3-K79 methyltransferase, H3-K79-HMTase, Lysine N-methyltransferase 4 |
| 2 | B (A) | BROMIDE ION | non-polymer | 79.9 | 1 | Chemie (BR) | |||
| 3 | C (A) | 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine | non-polymer | 618.6 | 1 | Chemie (AW2) | |||
| 4 | D (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 5 | E (A) | water | water | 18.0 | 25 | Chemie (HOH) |
Sequence modifications
A: 1 - 412 (UniProt: Q8TEK3)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 47050.5 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 721.5 | |
| All* | Total formula weight | 47772.0 |
