Structure of PDB 7ehz Chain A Binding Site BS01

Receptor Information

>7ehz Chain A (length=236) Species: 9606 (Homo sapiens)

SHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGVKGDLLIDI
GSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPAAFDWSPVVT
YVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVLS
TLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFS
LPLGREAVEAAVKEAGYTIEWFEVIEGLFSLVARKL

Ligand information

>7ehz Chain B (length=9) Species: 32630 (synthetic construct)

GFPYRPGFC

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ehz Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): S13 Y20 Y24 Y25 E34 I37 G63 S64 G65 T67 Y69 Q70 Y86 N90 T163 L164 A168 A169
• Binding residue (residue number reindexed from 1): S1 Y8 Y12 Y13 E22 I25 G51 S52 G53 T55 Y57 Q58 Y74 N78 T151 L152 A156 A157

Enzymatic activity

• Enzyme Commision number: 2.1.1.1: nicotinamide N-methyltransferase.

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:7ehz, PDBe:7ehz, PDBj:7ehz
• PDBsum: 7ehz
• PubMed: 34267879
• UniProt: P40261|NNMT_HUMAN Nicotinamide N-methyltransferase (Gene Name=NNMT)