5KE2
Crystal structure of SETDB1 Tudor domain in complex with inhibitor XST06472A
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | Histone-lysine N-methyltransferase SETDB1 | polymer | 213 | 24887.8 | 1 | UniProt (Q15047) Pfam (PF18300) Pfam (PF18359) Pfam (PF18358) In PDB | Homo sapiens (Human) | ERG-associated protein with SET domain,ESET,Histone H3-K9 methyltransferase 4,H3-K9-HMTase 4,Lysine N-methyltransferase 1E,SET domain bifurcated 1 |
2 | A | (3~{S})-~{N}-~{tert}-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide | non-polymer | 232.3 | 1 | Chemie (6S4) | |||
3 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
4 | A | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
5 | A | UNKNOWN ATOM OR ION | non-polymer | 8 | Chemie (UNX) | ||||
6 | water | water | 18.0 | 208 | Chemie (HOH) |
Sequence modifications
A: 196 - 402 (UniProt: Q15047)
PDB | External Database | Details |
---|---|---|
Glu 190 | - | expression tag |
Asn 191 | - | expression tag |
Leu 192 | - | expression tag |
Tyr 193 | - | expression tag |
Phe 194 | - | expression tag |
Gln 195 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 24887.8 | |
Non-Polymers* | Number of molecules | 17 |
Total formula weight | 932.8 | |
All* | Total formula weight | 25820.6 |