Brand  (β version)

PDB ID: 6CHH

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Ligands
Code Name Style Show Link
EDO 1,2-ethanediol PoSSuM
F0P (2~{S})-5-[2-(3-aminocarbonylphenyl)ethyl-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]amino]-2-azanyl-pentanoic acid PoSSuM
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Structure summary

Code : 6CHH   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Structure of human NNMT in complex with bisubstrate inhibitor MS2756
Release Data : 2018-06-13
Compound :
mol_id molecule chains
1 Nicotinamide N-methyltransferase A,B,C,D
ec: 2.1.1.1
mutation: K100A, E101A, E103A
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: NNMT
expression_system_strain: RIL
expression_system_vector_type: plasmid
expression_system_plasmid: pET28a-LIC
Authors : Babault, N., Liu, J., Jin, J.
Keywords : protein-small molecule bisubstrate inhibitor complex, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.3000 Å )
Citation :

Discovery of Bisubstrate Inhibitors of Nicotinamide N-Methyltransferase (NNMT).

Babault, N.,Allali-Hassani, A.,Li, F.  et al.
(2018)  J. Med. Chem.  61 : 1541 - 1551

PubMed: 29320176
DOI: 10.1021/acs.jmedchem.7b01422

Reaction

Chain : A, B, C, D
UniProt : P40261 (NNMT_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
nicotinamide + S-adenosyl-L-methionine = 1-methylnicotinamide + S-adenosyl-L-homocysteine 2.1.1.1 PubMed:21823666, PubMed:23455543, PubMed:8182091
left-to-right PubMed:21823666, PubMed:23455543, PubMed:31043742