Structure of PDB 7ei2 Chain A Binding Site BS01

Receptor Information

>7ei2 Chain A (length=233) Species: 9606 (Homo sapiens)

LSHFNPRDYLEKYYKFGSRHSAESQILKHLLKNLFKIFCLDGVKGDLLID
IGSGPTIYQLLSACESFKEIVVTDYSDQNLQELEKWLKKEPAAFDWSPVV
TYVCDLEGNRVKGPEKEEKLRQAVKQVLKCDVTQSQPLGAVPLPPADCVL
STLCLDAACPDLPTYCRALRNLGSLLKPGGFLVIMDALKSSYYMIGEQKF
SGREAVEAAVKEAGYTIEWFEVIGLFSLVARKL

Ligand information

>7ei2 Chain B (length=9) Species: 32630 (synthetic construct)

GFPYKPGFC

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ei2 Macrocyclic Peptides as a Novel Class of NNMT Inhibitors: A SAR Study Aimed at Inhibitory Activity in the Cell.
• Resolution: 2.08 Å
• Binding residue (original residue number in PDB): Y20 Y24 Y25 E34 I37 G63 S64 T67 Q70 Y86 N90 L164 A168 A169
• Binding residue (residue number reindexed from 1): Y9 Y13 Y14 E23 I26 G52 S53 T56 Q59 Y75 N79 L153 A157 A158

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:7ei2, PDBe:7ei2, PDBj:7ei2
• PDBsum: 7ei2
• PubMed: 34267879
• UniProt: P40261|NNMT_HUMAN Nicotinamide N-methyltransferase (Gene Name=NNMT)