6P6G
Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors
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 SMYD3 | polymer | 432 | 49542.5 | 1 | UniProt (Q9H7B4) Pfam (PF00856) Pfam (PF01753) | Homo sapiens (Human) | SET and MYND domain-containing protein 3,Zinc finger MYND domain-containing protein 1 |
| 2 | B, C, D (A) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 3 | E, F (A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 4 | G, H, I (A) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 5 | J (A) | S-ADENOSYL-L-HOMOCYSTEINE | non-polymer | 384.4 | 1 | Chemie (SAH) | |||
| 6 | K (A) | 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide | non-polymer | 520.6 | 1 | Chemie (LUP) | |||
| 7 | L (A) | water | water | 18.0 | 391 | Chemie (HOH) |
Sequence modifications
A: 1 - 428 (UniProt: Q9H7B4)
| PDB | External Database | Details |
|---|---|---|
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Phe -1 | - | expression tag |
| Thr 0 | - | expression tag |
| Asn 13 | Lys 13 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49542.5 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 1426.1 | |
| All* | Total formula weight | 50968.7 |
