Structure of PDB 4ef3 Chain A Binding Site BS01

Receptor Information
>4ef3 Chain A (length=466) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERPTLPIPDLLTTDARNRIQLTIGAGQSTFGGKTATTWGYNGNLLGPAVK
LQRGKAVTVDIYNQLTEETTLHWHGLEVPGEVDGGPQGIIPPGGKRSVTL
NVDQPAATCWFHPHQHGKTGRQVAMGLAGLVVIEDDEILKLMLPKQWGID
DVPVIVQDKKFSADGQIDYQLDVMTAAVGWFGDTLLTNGAIYPQHAAPRG
WLRLRLLNGCNARSLNFATSDNRPLYVIASDGGLLPEPVKVSELPVLMGE
RFEVLVEVNDNKPFDLVTLPVSQMGMAIAPFDKPHPVMRIQPIAISASGA
LPDTLSSLPALPSLEGLTVRKLQLSMDPMLDMMGMQMLMEKYGDQAMAGM
FDFHHANKINGQAFDMNKPMFAAAKGQYERWVISGVGDMMLHPFHIHGTQ
FRILSENGKPPAAHRAGWKDTVKVEGNVSEVLVKFNHDAPKEHAYMAHCH
LLEHEDTGMMLGFTVG
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 chain4ef3 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ef3 Exogenous acetate ion reaches the type II copper centre in CueO through the water-excretion channel and potentially affects the enzymatic activity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H443 C500 H505
Binding residue
(residue number reindexed from 1)		H392 C449 H454
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) H101 H103 H141 H143
Catalytic site (residue number reindexed from 1) H72 H74 H112 H114
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:4ef3, PDBe:4ef3, PDBj:4ef3
PDBsum4ef3
PubMed27380373
UniProtP36649|CUEO_ECOLI Multicopper oxidase CueO (Gene Name=cueO)

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