Structure of PDB 4ek9 Chain A

Receptor sequence
>4ek9A (length=325) Species: 9606 (Homo sapiens) [Search protein sequence]
LELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLA
MENYDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPSTGLL
RHILQQVYNHSVTDPEKLNNYEPFSPEVYGETSFDLVAQMIDEIKMTDDD
LFVDLGSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMK
WYGKKHAEYTLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERF
ANMKEGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSVSWTG
KPVSYYLHTIDRTILENYFSSLKNP
3D structure
PDB4ek9 Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
ChainA
Resolution2.5 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.1.1.360: [histone H3]-lysine(79) N-trimethyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 EP4 A P133 G137 G163 E186 K187 G221 D222 F223 P126 G130 G156 E179 K180 G214 D215 F216 MOAD: Ki=38000nM
PDBbind-CN: -logKd/Ki=4.42,Ki=38000nM
BindingDB: Ki=9000nM
Gene Ontology
Molecular Function
GO:0031151 histone H3K79 methyltransferase activity
Biological Process
GO:0051726 regulation of cell cycle

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4ek9, PDBe:4ek9, PDBj:4ek9
PDBsum4ek9
PubMed22978415
UniProtQ8TEK3|DOT1L_HUMAN Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1L)

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