Structure of PDB 6grr Chain A Binding Site BS01

Receptor Information
>6grr Chain A (length=718) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVPMDKTLKEFGADVQWDDYAQLFTLIKDGAYVKVKPGAQTAIVNGQPLA
LQVPVVMKDNKAWVSDTFINDVFQSGLDQTFQVEKRPHPLNALTADEIKQ
AVEIVKASADFKPNTRFTEISLLPPDKEAVWAFALENKPVDQPRKADVIM
LDGKHIIEAVVDLQNNKLLSWQPIKDAHGMVLLDDFASVQNIINNSEEFA
AAVKKRGITDAKKVITTPLTVGYFDGKDGLKQDARLLKVISYLDVGDGNY
WAHPIENLVAVVDLEQKKIVKIEEGPVVPVPMTARPFDGRDRVAPAVKPM
QIIEPEGKNYTITGDMIHWRNWDFHLSMNSRVGPMFSTVTYNDNGTKRKV
MYEGSLGGMIVPYGDPDIGWYFKAYLDSGDYGMGTLTSPIARGKDAPSNA
VLLNETIADYTGVPMEIPRAIAVFERYAGPEYKHQEMGQPNVSTERRELV
VRWISTVGNYDYIFDWIFHENGTIGIDAGATGIEAVKGVKAKTMHDETAK
DDTRYGTLIDHNIVGTTHQHIYNFRLDLDVDGENNSLVAMDPVVKPNTAG
GPRTSTMQVNQYNIGNQQDAAQKFDPGTIRLLSNPNKENRMGNPVSYQII
PYAGGTHPVAKGAQFAPDEWIYHRLSFMDKQLWVTRYHPGERFPEGKYPN
RSTHDTGLGQYSKDNESLDNTDAVVWMTTGTTHVARAEEWPIMPTEWVHT
LLKPWNFFDETPTLGALK
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 chain6grr Chain A Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6grr Oxygen Activation Switch in the Copper Amine Oxidase of Escherichia coli.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		Y466 H524 H526 H689
Binding residue
(residue number reindexed from 1)		Y460 H518 H520 H683
Annotation score1
Enzymatic activity
Enzyme Commision number 1.4.3.21: primary-amine oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0005509 calcium 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:0006559 L-phenylalanine catabolic process
GO:0009308 amine metabolic process
GO:0019607 phenylethylamine catabolic process
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6grr, PDBe:6grr, PDBj:6grr
PDBsum6grr
PubMed30110143
UniProtP46883|AMO_ECOLI Primary amine oxidase (Gene Name=tynA)

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