Structure of PDB 3kqo Chain B

Receptor sequence
>3kqoB (length=268) Species: 9606 (Homo sapiens) [Search protein sequence]
PDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWKLRCLAQ
TFATGEVSGRTLIDIGSGPTVYQLLSACSHFEDITMTDFLEVNRQELGRW
LQEEPGAFNWSMYSQHACLIEGKGECWQDKERQLRARVKRVLPIDVHQPQ
PLGAGSPAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLL
IGALEESWYLAGEARLTVVPVSEEEVREALVRSGYKVRDLRTYIMPAHLQ
TGVDDVKGVFFAWAQKVG
3D structure
PDB3kqo Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.
ChainB
Resolution2.4 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 2.1.1.28: phenylethanolamine N-methyltransferase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 SAH B Y27 Y35 Y40 G79 S80 G81 T83 Y85 D101 F102 L103 N106 I157 D158 V159 A181 F182 V187 Y14 Y22 Y27 G66 S67 G68 T70 Y72 D88 F89 L90 N93 I144 D145 V146 A168 F169 V174
BS02 ES4 B Y35 N39 R44 K57 F182 E219 V269 Y22 N26 R31 K44 F169 E206 V256 MOAD: Kd=140uM
Gene Ontology
Molecular Function
GO:0004603 phenylethanolamine N-methyltransferase activity
GO:0005515 protein binding
GO:0008168 methyltransferase activity
Biological Process
GO:0032259 methylation
GO:0042418 epinephrine biosynthetic process
GO:0042423 catecholamine biosynthetic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3kqo, PDBe:3kqo, PDBj:3kqo
PDBsum3kqo
PubMed20642456
UniProtP11086|PNMT_HUMAN Phenylethanolamine N-methyltransferase (Gene Name=PNMT)

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