Structure of PDB 3kn4 Chain A Binding Site BS01

Receptor Information
>3kn4 Chain A (length=618) Species: 1665 (Arthrobacter globiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASPFRLASAGEISEVQGILRTAGLLGPEKRIAYLGVLDPARGAGAEDRRF
RVFIHDVSGARPQEVTVSVTNGTVISAVELDTAATGELPVLEEEFEVVEQ
LLATDERWLKALAARNLDVSKVRVAPLSAGVFEYAEERGRRILRGLAFVQ
DFPEDSAWAHPVDGLVAYVDVVSKEVTRVIDTGVFPVPAEHGNYTDPELT
GPLRTTQKPISITQPEGPSFTVTGGNHIEWEKWSLDVGFDVREGVVLHNI
AFRDGDRLRPIINRASIAEMVVPYGDPSPIRSWQNYFDTGEYLVGQYANS
LELGCDCLGDITYLSPVISDAFGNPREIRNGICMHEEDWGILAKHSDLWS
GINYTRRNRRMVISFFTTIGNYDYGFYWYLYLDGTIEFEAKATGVVFTSA
FPEGGSDNISQLAPGLGAPFHQHIFSARLDMAIDGFTNRVEEEDVVRQTM
GPGNERGNAFSRKRTVLTRESEAVREADARTGRTWIISNPESKNRLNEPV
GYKLHAHNQPTLLADPGSSIARRAAFATKDLWVTRYADDERYPTGDFVNQ
HSGGAGLPSYIAQDRDIDGQDIVVWHTFGLTHFPRVEDWPIMPVDTVGFK
LRPEGFFDRSPVLDVPAN
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain3kn4 Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3kn4 AGAO 6-phenyl-2,3-hexadienylamine complex
Resolution2.05 Å
Binding residue
(original residue number in PDB)		H431 H433 H592
Binding residue
(residue number reindexed from 1)		H421 H423 H582
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y284 D298 Y382 H431 H433 H592
Catalytic site (residue number reindexed from 1) Y274 D288 Y372 H421 H423 H582
Enzyme Commision number 1.4.3.21: primary-amine oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0008131 primary methylamine oxidase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0048038 quinone binding
GO:0052595 aliphatic amine oxidase activity
Biological Process
GO:0009308 amine metabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3kn4, PDBe:3kn4, PDBj:3kn4
PDBsum3kn4
PubMed
UniProtP46881|PAOX_ARTGO Phenylethylamine oxidase

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