Structure of PDB 1n68 Chain A Binding Site BS05

Receptor Information
>1n68 Chain A (length=464) 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
DFHHANKINGQAFDMNKPMFAAAKGQYERWVISGVGDMMLHPFHIHGTQF
RILSENGKPPAAHRAGWKDTVKVEGNVSEVLVKFNHDAPKEHAYMAHCHL
LEHEDTGMMLGFTV
Ligand information
Ligand IDC2C
InChIInChI=1S/ClH.2Cu/h1H;;
InChIKeyXYAVAGPUXSMZBF-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[Cu][Cl][Cu]
OpenEye OEToolkits 2.0.7Cl([Cu])[Cu]
FormulaCl Cu2
NameCU-CL-CU LINKAGE
ChEMBL
DrugBank
ZINC
PDB chain1n68 Chain A Residue 702 [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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PDB1n68 A Labile Regulatory Copper Ion Lies Near the T1 Copper Site in the Multicopper Oxidase CueO.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H101 H103 H141 H143 H448 H499 H501
Binding residue
(residue number reindexed from 1)		H72 H74 H112 H114 H396 H447 H449
Annotation score1
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:1n68, PDBe:1n68, PDBj:1n68
PDBsum1n68
PubMed12794077
UniProtP36649|CUEO_ECOLI Multicopper oxidase CueO (Gene Name=cueO)

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