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) PubChem (5136) PubChem (34755) PubChem (58633578) PubChem (60038769) PubChem (73897310) PubChem (58766358) PubChem (87224684) PubChem (131697735) PubChem (9865603) PubChem (145712080) PubChem (12312798) PubChem (132988922) PubChem (134692588) PubChem (135030730) PubChem (140459785) PubChem (163046094) | |||
| 3 | C (A) | N-[1-(2-Chloroacetyl)piperidin-4-yl]-5-cyclopropyl-1,2-oxazole-3-carboxamide | non-polymer | 311.8 | 1 | Chemie (QON) PubChem (118949515) | |||
| 4 | D (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 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 |
