Structure of PDB 3kqp Chain B

Receptor sequence
>3kqpB (length=268) Species: 9606 (Homo sapiens) [Search protein sequence]
PDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWKLRCLAQ
TFATGEVSGRTLIDIGSGPTVYQLLSACSHFEDITMTDFLEVNRQELGRW
LQEEPGAFNWSMYSQHACLIEGKGECWQDKERQLRARVKRVLPIDVHQPQ
PLGAGSPAPLPADALVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLL
IGALEESWYLAGEARLTVVPVSEEEVREALVRSGYKVRDLRTYIMPAHLQ
TGVDDVKGVFFAWAQKVG
3D structure
PDB3kqp 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 S80 G81 T83 Y85 D101 F102 L103 D158 V159 A181 F182 C183 V187 Y222 Y14 Y22 Y27 S67 G68 T70 Y72 D88 F89 L90 D145 V146 A168 F169 C170 V174 Y209
BS02 ES5 B Y35 N39 R44 F182 E219 Y222 M258 Y22 N26 R31 F169 E206 Y209 M245 MOAD: Kd=380uM
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:3kqp, PDBe:3kqp, PDBj:3kqp
PDBsum3kqp
PubMed20642456
UniProtP11086|PNMT_HUMAN Phenylethanolamine N-methyltransferase (Gene Name=PNMT)

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