Brand  (β version)

PDB ID: 4EKI

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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
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 4EKI   PDBj   RCSB PDB   PDBe
Header : transferase/transferase inhibitor
Title : Crystal Structure of DOT1L in complex with EPZ004777
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
ec: 2.1.1.43
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 ( 2.85 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

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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