Structure of PDB 4ner Chain A Binding Site BS03

Receptor Information
>4ner Chain A (length=476) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AERPTLPIPDLLTTDARNRIQLTIGAGQSTFGGKTATTWGYNGNLLGPAV
KLQRGKAVTVDIYNQLTEETTLHWHGLEVPGEVDGGPQGIIPPGGKRSVT
LNVDQPAATCWFHPHQHGKTGRQVAMGLAGLVVIEDDEILKLMLPKQWGI
DDVPVIVQDKKFSADGQIDYQLDVMTAAVGWFGDTLLTNGAIYPQHAAPR
GWLRLRLLNGCNARSLNFATSDNRPLYVIASDGGLLPEPVKVSELPVLMG
ERFEVLVEVNDNKPFDLVTLPVSQMGMAIAPFDKPHPVMRIQPIAISASG
ALPDTLSSLPALPSLEGLTVRKLQLSMDPMLDMMGMQMLMEKYGDQAMAG
MDHHMNHGGKFDFHHANKINGQAFDMNKPMFAAAKGQYERWVISGVGDMM
LHPFHIHGTQFRILSENGKPPAAHRAGWKDTVKVEGNVSEVLVKFNHDAP
KEHAYMAHCHLLEHEDTGMMLGFTVG
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 chain4ner Chain A Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4ner New insights into the catalytic active-site structure of multicopper oxidases.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		H143 H448 H499
Binding residue
(residue number reindexed from 1)		H115 H407 H458
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H101 H103 H141 H143
Catalytic site (residue number reindexed from 1) H73 H75 H113 H115
Enzyme Commision number 1.16.3.4: cuproxidase.
Gene Ontology
Molecular Function
GO:0004322 ferroxidase activity
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0016682 oxidoreductase activity, acting on diphenols and related substances as donors, oxygen as acceptor
GO:0016722 oxidoreductase activity, acting on metal ions
GO:0016724 oxidoreductase activity, acting on metal ions, oxygen as acceptor
GO:0046872 metal ion binding
Biological Process
GO:0010273 detoxification of copper ion
GO:0046688 response to copper ion
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space
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:4ner, PDBe:4ner, PDBj:4ner
PDBsum4ner
PubMed24598746
UniProtP36649|CUEO_ECOLI Multicopper oxidase CueO (Gene Name=cueO)

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