Brand  (β version)

PDB ID: 6AU2

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Ligands
Code Name Style Show Link
BME Beta-mercaptoethanol PoSSuM
CGJ 1-methyl-4h,6h-[1,2,4]triazolo[4,3-a][4,1]benzoxazepine PoSSuM
EDO 1,2-ethanediol PoSSuM
SO4 Sulfate ion PoSSuM
UNX Unknown atom or ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6AU2   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
Release Data : 2017-10-11
Compound :
mol_id molecule chains synonym
1 Histone-lysine N-methyltransferase SETDB1 A ERG-associated protein with SET domain,ESET,Histone H3-K9 methyltransferase 4,H3-K9-HMTase 4,Lysine N-methyltransferase 1E,SET domain bifurcated 1
ec: 2.1.1.43
fragment: Tudor domain (196-402)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: SETDB1, KIAA0067, KMT1E
expression_system_strain: BL21(DE3)-pRARE2
expression_system_vector_type: plasmid
expression_system_plasmid: pET28a-MHL
Authors : MADER, P., Mendoza-Sanchez, R., IQBAL, A., DONG, A., DOBROVETSKY, E., CORLESS, V.B., LIEW, S.K., TEMPEL, W., SMIL, D., DELA SENA, C.C., KENNEDY, S., DIAZ, D., HOLOWNIA, A., VEDADI, M., BROWN, P.J., SANTHAKUMAR, V., Bountra, C., Edwards, A.M., YUDIN, A.K., Arrowsmith, C.H., Structural Genomics Consortium (SGC)
Keywords : SETDB1 Tudor, fragment hits, epigenetics, methyllysine reader, Structural Genomics, Structural Genomics Consortium, SGC, TRANSFERASE
Exp. method : X-RAY DIFFRACTION ( 1.6300 Å )
Citation :

Identification and characterization of the first fragment hits for SETDB1 Tudor domain.

Mader, P.,Mendoza-Sanchez, R.,Iqbal, A.  et al.
(2019)  Bioorg.Med.Chem.  27 : 3866 - 3878

PubMed: 31327677
DOI: 10.1016/j.bmc.2019.07.020

Reaction

Chain : A
UniProt : Q15047 (SETB1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
N(6),N(6)-dimethyl-L-lysyl(9)-[histone H3] + S-adenosyl-L- methionine = H(+) + N(6),N(6),N(6)-trimethyl-L-lysyl(9)-[histone H3] + S-adenosyl-L-homocysteine 2.1.1.366 PROSITE- ProRule:PRU00906, PubMed:14536086
left-to-right PubMed:14536086