Structure of PDB 4hra Chain A

Receptor sequence
>4hraA (length=320) Species: 9606 (Homo sapiens) [Search protein sequence]
KLELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKL
AMENYVLIDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTTQPMKLNTRPS
TGLLRHILQQVYNHSVTDPEKLNNYEPTSFDLVAQMIDEIKMTDDDLFVD
LGSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYGK
KHAEYTLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERFANMK
EGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSVGKPVSYYL
HTIDRTILENYFSSLKNPKL
3D structure
PDB4hra Potent inhibition of DOT1L as treatment of MLL-fusion leukemia.
ChainA
Resolution3.15 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 EP6 A D161 G163 S164 V169 V185 E186 K187 G221 D222 F223 F239 N241 D150 G152 S153 V158 V174 E175 K176 G210 D211 F212 F228 N230 PDBbind-CN: -logKd/Ki=10.10,Ki=0.08nM
BindingDB: Ki=0.080000nM,IC50=<0.100000nM
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:4hra, PDBe:4hra, PDBj:4hra
PDBsum4hra
PubMed23801631
UniProtQ8TEK3|DOT1L_HUMAN Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1L)

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