7O2C
X-RAY STRUCTURE OF SMYD3 IN COMPLEX WITH the benzodiazepine-based probe BAY-6035
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,Zinc finger MYND domain-containing protein 1 |
| 2 | B (A) | (2S)-1-[[(1R,5S)-3-azabicyclo[3.1.0]hexan-3-yl]carbonyl]-N-(2-cyclopropylethyl)-2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide | non-polymer | 396.5 | 1 | Chemie (UZK) | |||
| 3 | C (A) | S-ADENOSYLMETHIONINE | non-polymer | 398.4 | 1 | Chemie (SAM) | |||
| 4 | D, E, F (A) | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
| 5 | G (A) | water | water | 18.0 | 544 | Chemie (HOH) |
Sequence modifications
A: 1 - 428 (UniProt: Q9H7B4)
| PDB | External Database | Details |
|---|---|---|
| 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 | 49178.1 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 991.1 | |
| All* | Total formula weight | 50169.3 |
