Brand  (β version)

color scheme of protein:


interaction residue:


Code Name Link
0QJ 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(methyl)amino]-5'-deoxyadenosine
Code : 4EKG   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Crystal Structure of DOT1L in Complex with EPZ003696
Release Data : 2012-10-17
Compound :
mol_id molecule chains synonym
1 Histone-lysine N-methyltransferase, H3 lysine-79 specific A DOT1-like protein, Histone H3-K79 methyltransferase, H3-K79-HMTase, Lysine N-methyltransferase 4
fragment: UNP residues 1-416
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: DOT1L, KIAA1814, KMT4
Authors : Jin, L.
Keywords : methyltransferase, transferase-transferase inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.80 Å )
Citation :

Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.

Basavapathruni, A.,Jin, L.,Daigle, S.R.  et al.
(2012)  Chem.Biol.Drug Des.  80 : 971 - 980

PubMed: 22978415
DOI: 10.1111/cbdd.12050

Chain : A
UniProt : Q8TEK3 (DOT1L_HUMAN)
Reaction : Reaction=L-lysyl(79)-[histone H3] + 3 S-adenosyl-L-methionine = 3 H(+) + N(6),N(6),N(6)-trimethyl-L-lysyl(79)-[histone H3] + 3 S-adenosyl-L- homocysteine; Xref=Rhea:RHEA:60328, Rhea:RHEA-COMP:15549, Rhea:RHEA- COMP:15552, ChEBI:CHEBI:15378, ChEBI:CHEBI:29969, ChEBI:CHEBI:57856, ChEBI:CHEBI:59789, ChEBI:CHEBI:61961; EC=; Evidence={ECO:0000255|PROSITE-ProRule:PRU00902, ECO:0000269|PubMed:12123582};