4WVL
Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement
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 | 347 | 40318.8 | 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) | N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine | non-polymer | 653.8 | 1 | Chemie (3US) | |||
| 3 | C, D, E (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | F (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 5 | G, H, I (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 6 | J (A) | water | water | 18.0 | 72 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 40318.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1220.3 | |
| All* | Total formula weight | 41539.1 |
