5DT2
Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]
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~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine | non-polymer | 421.5 | 2 | Chemie (5EV) | |||
| 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 | 239 | 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 | 6 |
| Total formula weight | 1227.2 | |
| All* | Total formula weight | 78140.4 |
