Structure of PDB 5drt Chain A

Receptor sequence
>5drtA (length=314) Species: 9606 (Homo sapiens) [Search protein sequence]
LELRLKSPVGAEPAVYPWPLPVYDKHHDAAHEIIETIRWVCEEIPDLKLA
MENYVLIDYDTKSFESMQRLCDKYNRAIDSIHQLWKGNTRPSTGLLRHIL
QQVYNHSVTDPEKLFSPEVYGETSFDLVAQMIDEIKMTDDDLFVDLGSGV
GQVVLQVAAATNCKHHYGVEKADIPAKYAETMDREFRKWMKWYGKKHAEY
TLERGDFLSEEWRERIANTSVIFVNNFAFGPEVDHQLKERFANMKEGGRI
VSSKPFAPLNFRINSRNLSDIGTIMRVVELSPLKGSWTGKPVSYYLHTID
RTILENYFSSLKNP
3D structure
PDB5drt Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.
ChainA
Resolution2.69 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 5EG A F131 P133 Y136 D161 G163 S164 G165 Q168 V169 F239 V240 N241 S268 S269 F115 P117 Y120 D145 G147 S148 G149 Q152 V153 F223 V224 N225 S252 S253 PDBbind-CN: -logKd/Ki=5.36,IC50=4.4uM
BindingDB: IC50=4400nM
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:5drt, PDBe:5drt, PDBj:5drt
PDBsum5drt
PubMed27563395
UniProtQ8TEK3|DOT1L_HUMAN Histone-lysine N-methyltransferase, H3 lysine-79 specific (Gene Name=DOT1L)

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