Structure of PDB 3pav Chain A Binding Site BS03

Receptor Information
>3pav Chain A (length=466) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERPTLPIPDLLTTDARNRIQLTIGAGQSTFGGKTATTWGYNGNLLGPAVK
LQRGKAVTVDIYNQLTEETTLHWHGLEVPGEVDGGPQGIIPPGGKRSVTL
NVDQPAATCWFHPHQHGKTGRQVAMGLAGLVVIEDDEILKLMLPKQWGID
DVPVIVQDKKFSADGQIDYQLDVMTAAVGWFGDTLLTNGAIYPQHAAPRG
WLRLRLLNGCNARSLNFATSDNRPLYVIASDGGLLPEPVKVSELPVLMGE
RFEVLVEVNDNKPFDLVTLPVSQMGMAIAPFDKPHPVMRIQPIAISASGA
LPDTLSSLPALPSLEGLTVRKLQLSMDPMLDMMGMQMLMEKYGDQAMAGM
DHDFHHANKINGQAFDMNKPMFAAAKGQYERWVISGVGDMMLHPFHIHGT
QFRILSENGKPPAAHRAGWKDTVKVEGNVSEVLVKFNHDAPKEHAYMAHC
HLLEHEDTGMMLGFTV
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 chain3pav Chain A Residue 603 [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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PDB3pav The reduced form of CueO
Resolution1.45 Å
Binding residue
(original residue number in PDB)		H103 H141 H501
Binding residue
(residue number reindexed from 1)		H74 H112 H451
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:3pav, PDBe:3pav, PDBj:3pav
PDBsum3pav
PubMed
UniProtP36649|CUEO_ECOLI Multicopper oxidase CueO (Gene Name=cueO)

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