Brand  (β version)

PDB ID: 4ER5

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Ligands
Code Name Style Show Link
0QK 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7h-pyrrolo[2,3-D]pyrimidin-4-amine PoSSuM
UNX Unknown atom or ion PoSSuM
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Structure summary

Code : 4ER5   PDBj   RCSB PDB   PDBe
Header : Transferase/Transferase Inhibitor
Title : Crystal structure of human DOT1L in complex with 2 molecules of EPZ004777
Release Data : 2012-05-16
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
ec: 2.1.1.43
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: DOT1L, KIAA1814, KMT4
expression_system_strain: Bl21 V2r Prare2
expression_system_vector_type: plasmmid
expression_system_plasmid: pET28-MHL
Authors : Wernimont, A.K., Tempel, W., Yu, W., Scopton, A., Li, Y., Nguyen, K.T., Federation, A., Marineau, J., Qi, J., Vedadi, M., Bradner, J.E., Schapira, M., Arrowsmith, C.H., Edwards, A.M., Bountra, C., Brown, P.J., Structural Genomics Consortium (SGC)
Keywords : histone, methyltransferase, epigenetics, Transferase-Transferase Inhibitor complex, Structural Genomics, Structural Genomics Consortium, SGC
Exp. method : X-RAY DIFFRACTION ( 2.5700 Å )
Citation :

Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.

Yu, W.,Chory, E.J.,Wernimont, A.K.  et al.
(2012)  Nat Commun  3 : 1288 - 1288

PubMed: 23250418
DOI: 10.1038/ncomms2304

Reaction

Chain : A
UniProt : Q8TEK3 (DOT1L_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
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 2.1.1.360 PROSITE-ProRule:PRU00902, PubMed:12123582
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