Structure of PDB 5yjf Chain B

Receptor sequence
>5yjfB (length=256) Species: 9606 (Homo sapiens) [Search protein sequence]
FTSKDTYLSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGV
KGDLLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKAAPAA
FDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPL
PPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYY
MIGEQKFSSLPLGREAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFS
LVARKL
3D structure
PDB5yjf A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders.
ChainB
Resolution2.49 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.1.1.1: nicotinamide N-methyltransferase.
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 SAH B F15 Y20 Y25 G63 S64 G65 T67 D85 Y86 N90 D142 V143 T163 C165 A169 F11 Y16 Y21 G59 S60 G61 T63 D81 Y82 N86 D138 V139 T159 C161 A165 BindingDB: IC50=35300nM
BS02 8WO B Y20 Y24 L164 S201 Y204 S213 Y242 Y16 Y20 L160 S197 Y200 S209 Y238 MOAD: ic50=1.8uM
Gene Ontology
Molecular Function
GO:0008112 nicotinamide N-methyltransferase activity
GO:0008168 methyltransferase activity
GO:0030760 pyridine N-methyltransferase activity
Biological Process
GO:0006769 nicotinamide metabolic process
GO:0009410 response to xenobiotic stimulus
GO:0031100 animal organ regeneration
GO:0032259 methylation
GO:0034356 NAD biosynthesis via nicotinamide riboside salvage pathway
GO:0045722 positive regulation of gluconeogenesis
GO:0090312 positive regulation of protein deacetylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:5yjf, PDBe:5yjf, PDBj:5yjf
PDBsum5yjf
PubMed29483571
UniProtP40261|NNMT_HUMAN Nicotinamide N-methyltransferase (Gene Name=NNMT)

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