PDBsum entry 3kpv

Transferase

PDB id: 3kpv

Contents

Protein chain

257 a.a. *

Ligands

SAH ×2

ADE ×2

Waters ×207

* Residue conservation analysis

PDB id:

3kpv

Name:

Transferase

Title:

Crystal structure of hpnmt in complex adohcy and adenine

Structure:

Phenylethanolamine n-methyltransferase. Chain: a, b. Synonym: pnmtase, noradrenaline n-methyltransferase. Engineered: yes

Source:

Homo sapiens. Human. Organism_taxid: 9606. Gene: pnmt, pent. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.40Å R-factor: 0.217 R-free: 0.272

Authors:

N.Drinkwater,J.L.Martin

Key ref:

N.Drinkwater et al. (2010). Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors. Biochem J, 431, 51-61. PubMed id: 20642456

Date:

17-Nov-09 Release date: 29-Sep-10

Protein chains

P11086  (PNMT_HUMAN) -  Phenylethanolamine N-methyltransferase from Homo sapiens

Seq: 282 a.a.

Struc: 257 a.a.

Enzyme reactions

• Enzyme class: E.C.2.1.1.28 - phenylethanolamine N-methyltransferase.
• Pathway: Dopa Biosynthesis
• Reaction: phenylethanolamine + S-adenosyl-L-methionine = N-methylphenylethanolamine + S-adenosyl-L-homocysteine + H⁺

phenylethanolamine + S-adenosyl-L-methionine = N-methylphenylethanolamine + S-adenosyl-L-homocysteine + H(+) (Bound ligand (Het Group name = SAH) corresponds exactly)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site

reference

Biochem J 431:51-61 (2010)

PubMed id: 20642456

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

N.Drinkwater, H.Vu, K.M.Lovell, K.R.Criscione, B.M.Collins, T.E.Prisinzano, S.A.Poulsen, M.J.McLeish, G.L.Grunewald, J.L.Martin.

ABSTRACT

No abstract given.