6IJL
Crystal structure of SmyD3 in complex with covalent inhibitor 5
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 | 428 | 49178.1 | 1 | UniProt (Q9H7B4) Pfam (PF00856) Pfam (PF01753) | Homo sapiens (Human) | SET and MYND domain-containing protein 3 |
| 2 | B (A) | propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate | non-polymer | 472.6 | 1 | Chemie (A8U) | |||
| 3 | C, D, E (A) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 4 | F (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) | |||
| 5 | G (A) | water | water | 18.0 | 100 | Chemie (HOH) |
Sequence modifications
A: 1 - 428 (UniProt: Q9H7B4)
| PDB | External Database | Details |
|---|---|---|
| Asn 13 | Lys 13 | engineered mutation |
| Arg 140 | Lys 140 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 49178.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1067.2 | |
| All* | Total formula weight | 50245.4 |
