Brand  (β version)

PDB ID: 5VSE

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
ZN Zinc ion PoSSuM
SAM S-adenosylmethionine PoSSuM
9HG N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 5VSE   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Structure of human G9a SET-domain (EHMT2) in complex with inhibitor 17: N~2~-cyclopentyl-6,7-dimethoxy-N~2~-methyl-N~4~-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine
Release Data : 2017-07-19
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.-,2.1.1.43
fragment: G9a catalytic SET-domain (913-1193)
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:469008)
gene: EHMT2, BAT8, C6orf30, G9A, KMT1C, NG36
expression_system_strain: BL21 (DE3) codon plus RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pET28a-LIC
Authors : Babault, N., Xiong, Y., Liu, J., Jin, J.
Keywords : protein-small molecule inhibitor complex, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.6000 Å )
Citation :

Structure-activity relationship studies of G9a-like protein (GLP) inhibitors.

Xiong, Y.,Li, F.,Babault, N.  et al.
(2017)  Bioorg. Med. Chem.  25 : 4414 - 4423

PubMed: 28662962
DOI: 10.1016/j.bmc.2017.06.021

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
-
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
-