4WUY
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | N-lysine methyltransferase SMYD2 | polymer | 441 | 50775.1 | 1 | UniProt (Q9NRG4) Pfam (PF00856) Pfam (PF01753) | Homo sapiens (Human) | HSKM-B,Histone methyltransferase SMYD2,Lysine N-methyltransferase 3C,SET and MYND domain-containing protein 2 |
| 2 | B (A) | 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide | non-polymer | 574.8 | 1 | Chemie (3UJ) | |||
| 3 | C (A) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 1 | Chemie (SAH) | |||
| 4 | D, E, F (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | G, H, I, J (A) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 6 | K (A) | water | water | 18.0 | 430 | Chemie (HOH) |
Sequence modifications
A: 1 - 433 (UniProt: Q9NRG4)
| PDB | External Database | Details |
|---|---|---|
| Glu 434 | - | expression tag |
| Gly 435 | - | expression tag |
| His 436 | - | expression tag |
| His 437 | - | expression tag |
| His 438 | - | expression tag |
| His 439 | - | expression tag |
| His 440 | - | expression tag |
| His 441 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 50775.1 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1497.1 | |
| All* | Total formula weight | 52272.2 |
