Structure of PDB 4hal Chain A Binding Site BS01

Receptor Information
>4hal 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
KEHAYMAHCHLLEHIDTGMMLGFTVG
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 chain4hal Chain A Residue 1001 [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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PDB4hal Multicopper Oxidase CueO mutant E506I
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H443 C500 H505
Binding residue
(residue number reindexed from 1)		H402 C459 H464
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:4hal, PDBe:4hal, PDBj:4hal
PDBsum4hal
PubMed
UniProtP36649|CUEO_ECOLI Multicopper oxidase CueO (Gene Name=cueO)

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