6ZRB
Crystal structure of SMYD3 conjugate with piperidine-based covalent inhibitor EM127
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 | 431 | 49460.4 | 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 (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) | |||
| 3 | C (A) | N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide | non-polymer | 311.8 | 1 | Chemie (QON) | |||
| 4 | D (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
| 5 | E, F, G (A) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 6 | H (A) | water | water | 18.0 | 412 | Chemie (HOH) |
Sequence modifications
A: 1 - 428 (UniProt: Q9H7B4)
| PDB | External Database | Details |
|---|---|---|
| Gly -2 | - | expression tag |
| Ser -1 | - | expression tag |
| His 0 | - | expression tag |
| Asn 13 | Lys 13 | variant |
| Arg 140 | Lys 140 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49460.4 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 965.5 | |
| All* | Total formula weight | 50425.9 |
