Structure of PDB 5mw3 Chain A

Receptor sequence
>5mw3A (length=319) Species: 9606 (Homo sapiens) [Search protein sequence]
LELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLA
MENYVLIDYDTKSFESMQRLCDKYNRAIDSIHQLWKGTNTRPSTGLLRHI
LQQVYNHSVTDPEKLNNYEPFSPEVYGETSFDLVAQMIDEIKMTDDDLFV
DLGSGVGQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYG
KKHAEYTLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERFANM
KEGGRIVSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKSWTGKPVSYY
LHTIDRTILENYFSSLKNP
3D structure
PDB5mw3 Discovery of Potent, Selective, and Structurally Novel Dot1L Inhibitors by a Fragment Linking Approach.
ChainA
Resolution2.09 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 5JJ A F131 S140 L143 F239 N241 V267 S268 S269 V310 Y312 F121 S130 L133 F229 N231 V257 S258 S259 V297 Y299 MOAD: ic50=190nM
BS02 5JT A G163 E186 K187 G221 D222 F223 G153 E176 K177 G211 D212 F213 MOAD: ic50=240uM
BindingDB: IC50=251189nM
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:5mw3, PDBe:5mw3, PDBj:5mw3
PDBsum5mw3
PubMed28337327
UniProtQ8TEK3|DOT1L_HUMAN Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1L)

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