Structure of PDB 7wmc Chain B

Receptor sequence

>7wmcB (length=230) Species: 9606 (Homo sapiens)

GFTSKDTYLSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDG
VKGDLLIDIGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPA
AFDWSPVVTYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVP
LPPADCVLSTLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALLGRE
AVEAAVKEAGYTIEWFEVIEGLFSLVARKL

3D structure

• PDB: 7wmc Peptide-to-Small Molecule: A Pharmacophore-Guided Small Molecule Lead Generation Strategy from High-Affinity Macrocyclic Peptides.
• Chain: B
• Resolution: 2.55 Å

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	peptide	B	F15 Y20	F12 Y17
BS02	peptide	B	K23 K26 F27 G28 S29 R30 S35 L38 K39 P109 V110 Y113	K20 K23 F24 G25 S26 R27 S32 L35 K36 P106 V107 Y110
BS03	peptide	B	F5 D9 T10 Y11 G63 S64 G65 T67 D85 Y86 N90 D142 V143 T163 C165 A168 A169 Y176	F2 D6 T7 Y8 G60 S61 G62 T64 D82 Y83 N87 D139 V140 T160 C162 A165 A166 Y173

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

External links

• PDB: RCSB:7wmc, PDBe:7wmc, PDBj:7wmc
• PDBsum: 7wmc
• PubMed: 35904556
• UniProt: P40261|NNMT_HUMAN Nicotinamide N-methyltransferase (Gene Name=NNMT)