Brand  (β version)

PDB ID: 3RJW

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Ligands
Code Name Style Show Link
CIQ 2-cyclohexyl-6-methoxy-N-[1-(1-methylethyl)piperidin-4-yl]-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine PoSSuM
SAH S-adenosyl-L-homocysteine PoSSuM
UNX Unknown atom or ion PoSSuM
ZN Zinc ion PoSSuM
Non-standard Residues
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Structure summary

Code : 3RJW   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of histone lysine methyltransferase g9a with an inhibitor
Release Data : 2011-05-04
Compound :
mol_id molecule chains synonym
1 Histone-lysine N-methyltransferase EHMT2 A,B Euchromatic histone-lysine N-methyltransferase 2, HLA-B-associated transcript 8, Histone H3-K9 methyltransferase 3, H3-K9-HMTase 3, Lysine N-methyltransferase 1C, Protein G9a
ec: 2.1.1.43
fragment: Sequence database residues 913-1193
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:511693)
gene: EHMT2, BAT8, C6orf30, G9A, KMT1C, NG36
expression_system_strain: BL21-V2R-PRARE2
expression_system_vector_type: plasmid
expression_system_plasmid: P28A-LIC
Authors : Dong, A., Wasney, G.A., Tempel, W., Liu, F., Barsyte, D., Allali-Hassani, A., Chen, X., Chau, I., Hajian, T., Senisterra, G., Chavda, N., Arora, K., Siarheyeva, A., Kireev, D.B., Herold, J.M., Bochkarev, A., Bountra, C., Weigelt, J., Edwards, A.M., Frye, S.V., Arrowsmith, C.H., Brown, P.J., Jin, J., Vedadi, M., Structural Genomics Consortium (SGC)
Keywords : CHEMICAL PROBE, METHYLTRANSFERASE INHIBITOR, STRUCTURAL GENOMICS CONSORTIUM, SGC, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.560 Å )
Citation :

A chemical probe selectively inhibits G9a and GLP methyltransferase activity in cells.

Vedadi, M.,Barsyte-Lovejoy, D.,Liu, F.  et al.
(2011)  Nat.Chem.Biol.  7 : 566 - 574

PubMed: 21743462
DOI: 10.1038/nchembio.599

Reaction

Chain : A, B
UniProt : Q96KQ7 (EHMT2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
N(6)-methyl-L-lysyl(9)-[histone H3] + S-adenosyl-L-methionine = H(+) + N(6),N(6)-dimethyl-L-lysyl(9)-[histone H3] + S-adenosyl-L- homocysteine - PubMed:11316813, PubMed:20084102
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L-lysyl(9)-[histone H3] + S-adenosyl-L-methionine = H(+) + N(6)-methyl-L-lysyl(9)-[histone H3] + S-adenosyl-L-homocysteine 2.1.1.367 PubMed:11316813, PubMed:20084102
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