Structure of PDB 3uad Chain A Binding Site BS03

Receptor Information
>3uad 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
KEHAYMAHSHLLEHQDTGMMLGFTVG
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 chain3uad Chain A Residue 1004 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3uad An O-centered structure of the trinuclear copper center in the Cys500Ser/Glu506Gln mutant of CueO and structural changes in low to high X-ray dose conditions.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H101 H103 H446 H448
Binding residue
(residue number reindexed from 1)		H73 H75 H405 H407
Annotation score5
Enzymatic activity
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:3uad, PDBe:3uad, PDBj:3uad
PDBsum3uad
PubMed22250058
UniProtP36649|CUEO_ECOLI Multicopper oxidase CueO (Gene Name=cueO)

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