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) PubChem (91623361) | |||
| 3 | C (A) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 1 | Chemie (SAH) PubChem (16760024) PubChem (25210495) PubChem (177678424) PubChem (21125603) PubChem (25203782) PubChem (52224400) PubChem (44361184) PubChem (46936206) PubChem (50989525) PubChem (51380914) PubChem (6419189) PubChem (52224398) PubChem (57544532) PubChem (164157219) PubChem (59046843) PubChem (59170628) PubChem (59576228) PubChem (66805708) PubChem (70689219) PubChem (70702054) PubChem (70832431) PubChem (118374891) PubChem (118560068) PubChem (193) PubChem (13792) PubChem (189149) PubChem (439155) PubChem (5284331) PubChem (126969526) PubChem (71170554) PubChem (129105892) PubChem (13231890) PubChem (143518505) PubChem (154578335) PubChem (163054214) PubChem (163335525) | |||
| 4 | D, E, F (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) PubChem (753) | |||
| 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 |
