Brand  (β version)

PDB ID: 6MBO

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
JDG 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3h-1,4-benzodiazepin-5-amine PoSSuM
SAH S-adenosyl-L-homocysteine PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 6MBO   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form
Release Data : 2019-02-27
Compound :
mol_id molecule chains synonym
1 Histone-lysine N-methyltransferase EHMT1 A,B Euchromatic histone-lysine N-methyltransferase 1,Eu-HMTase1,G9a-like protein 1,GLP1,Histone H3-K9 methyltransferase 5,H3-K9-HMTase 5,Lysine N-methyltransferase 1D
ec: 2.1.1.43
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: EHMT1, EUHMTASE1, GLP, KIAA1876, KMT1D
expression_system_strain: BL21(DE3)
Authors : Horton, J.R., Cheng, X.
Keywords : Histone, H3, Methylation Inhibition, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.591 Å )
Citation :

Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.

Milite, C.,Feoli, A.,Horton, J.R.  et al.
(2019)  J. Med. Chem.  62 : 2666 - 2689

PubMed: 30753076
DOI: 10.1021/acs.jmedchem.8b02008

Reaction

Chain : A, B
UniProt : Q9H9B1 (EHMT1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
N(6)-methyl-L-lysyl(9)-[histone H3] + S-adenosyl-L-methionine = N(6),N(6)-dimethyl-L-lysyl(9)-[histone H3] + S-adenosyl-L- homocysteine + H(+) - PubMed:12004135
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L-lysyl(9)-[histone H3] + S-adenosyl-L-methionine = N(6)- methyl-L-lysyl(9)-[histone H3] + S-adenosyl-L-homocysteine + H(+) 2.1.1.367 PubMed:12004135
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