Structure of PDB 7egu Chain A Binding Site BS01

Receptor Information

>7egu Chain A (length=248) Species: 9606 (Homo sapiens)

TYLSHFNPRDYLEKYYKFGSAESQILKHLLKNLFKIFCLDGVKGDLLIDI
GSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPAAFDWSPVVT
YVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVLS
TLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKFS
SLPLGREAVEAAVKEAGYTIEWFEVISQSYSSTMANNEGLFSLVARKL

Ligand information

>7egu Chain B (length=11) Species: 32630 (synthetic construct)

FPLIFPRKGCG

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7egu Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H14 F15 Y20 Y24 E34 I37 G63 S64 G65 T67 Q70 D85 Y86 S87 N90 D142 V143 T163 L164 C165 D167 Y203 M205 Y242
• Binding residue (residue number reindexed from 1): H5 F6 Y11 Y15 E22 I25 G51 S52 G53 T55 Q58 D73 Y74 S75 N78 D130 V131 T151 L152 C153 D155 Y191 M193 Y230

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