Structure of PDB 4eki Chain A

Receptor sequence
>4ekiA (length=319) Species: 9606 (Homo sapiens) [Search protein sequence]
KLELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKL
AMENYDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPSTGL
LRHILQQVYNHSVTDPEKLNSPEVYGETSFDLVAQMIDEIKMTDDDLFVD
LGSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYGK
KHAEYTLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERFANMK
EGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSVSWTGKPVS
YYLHTIDRTILENYFSSLK
3D structure
PDB4eki Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
ChainA
Resolution2.85 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 0QK A L143 D161 G163 S164 V169 E186 K187 D222 F223 N241 L132 D150 G152 S153 V158 E175 K176 D211 F212 N230 PDBbind-CN: -logKd/Ki=10.00,Kd=0.10nM
BindingDB: Ki=0.300000nM,IC50=0.400000nM,EC50=9.0nM,Kd=0.250000nM
Gene Ontology
Molecular Function
GO:0031151 histone H3K79 methyltransferase activity
Biological Process
GO:0051726 regulation of cell cycle

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Molecular Function
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Biological Process
External links
PDB RCSB:4eki, PDBe:4eki, PDBj:4eki
PDBsum4eki
PubMed22978415
UniProtQ8TEK3|DOT1L_HUMAN Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1L)

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