Structure of PDB 4ekg Chain A

Receptor sequence
>4ekgA (length=319) Species: 9606 (Homo sapiens) [Search protein sequence]
LELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLA
MENYDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPSTGLL
RHILQQVYNHSVTDPEKLNSPEVYGETSFDLVAQMIDEIKMTDDDLFVDL
GSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYGKK
HAEYTLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERFANMKE
GGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSVSWTGKPVSY
YLHTIDRTILENYFSSLKN
3D structure
PDB4ekg Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.
ChainA
Resolution2.8 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 0QJ A V135 Y136 D161 G163 E186 K187 D222 F223 F239 N241 S268 Y312 V123 Y124 D149 G151 E174 K175 D210 F211 F227 N229 S256 Y300 PDBbind-CN: -logKd/Ki=8.77,Kd=1.7nM
BindingDB: Ki=13nM
Gene Ontology
Molecular Function
GO:0031151 histone H3K79 methyltransferase activity
Biological Process
GO:0051726 regulation of cell cycle

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:4ekg, PDBe:4ekg, PDBj:4ekg
PDBsum4ekg
PubMed22978415
UniProtQ8TEK3|DOT1L_HUMAN Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1L)

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