Brand  (β version)

PDB ID: 3KQV

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Ligands
Code Name Style Show Link
FAN Formanilide PoSSuM
SAH S-adenosyl-L-homocysteine PoSSuM
Non-standard Residues
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Glycosylation
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Modification
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Structure summary

Code : 3KQV   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE
Title : Crystal Structure of hPNMT in Complex AdoHcy and Formanilide
Release Data : 2010-09-29
Compound :
mol_id molecule chains synonym
1 Phenylethanolamine N-methyltransferase A,B PNMTase, Noradrenaline N-methyltransferase
ec: 2.1.1.28
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: PNMT, PENT
expression_system_strain: BL21(DE3)pLysS
expression_system_vector_type: plasmid
expression_system_plasmid: pET17 PNMT-His
Authors : Drinkwater, N., Martin, J.L.
Keywords : methyltransferase, fragment screening, Catecholamine biosynthesis, S-adenosyl-L-methionine, Transferase
Exp. method : X-RAY DIFFRACTION ( 2.300 Å )
Citation :

Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.

Drinkwater, N.,Vu, H.,Lovell, K.M.  et al.
(2010)  Biochem.J.  431 : 51 - 61

PubMed: 20642456
DOI: 10.1042/BJ20100651

Reaction

Chain : A, B
UniProt : P11086 (PNMT_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
phenylethanolamine + S-adenosyl-L-methionine = N- methylphenylethanolamine + S-adenosyl-L-homocysteine + H(+) 2.1.1.28 PubMed:16363801, PubMed:8812853
left-to-right PubMed:16363801
(R)-noradrenaline + S-adenosyl-L-methionine = (R)-adrenaline + S-adenosyl-L-homocysteine + H(+) 2.1.1.28 PubMed:20496117
left-to-right
(R)-normetanephrine + S-adenosyl-L-methionine = (R)- metanephrine + S-adenosyl-L-homocysteine + H(+) - UniProtKB:P10938
left-to-right
(R)-octopamine + S-adenosyl-L-methionine = (R)-synephrine + S- adenosyl-L-homocysteine + H(+) - PubMed:16277617, PubMed:16363801
left-to-right PubMed:16363801