Structure of PDB 4a68 Chain A Binding Site BS02

Receptor Information
>4a68 Chain A (length=502) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGY
NGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHEPEVKTVVHLHG
GVTPDDSNGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAMA
LTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLFY
PSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINAS
NTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFTA
YEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLASY
PSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTEI
WSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPPP
SEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMDI
TD
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 chain4a68 Chain A Residue 1512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4a68 The Role of Asp116 in the Reductive Cleavage of Dioxygen to Water in Cota Laccase: Assistance During the Proton Transfer Mechanism
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H107 H153 H493
Binding residue
(residue number reindexed from 1)		H99 H145 H485
Annotation score1
Enzymatic activity
Enzyme Commision number 1.10.3.2: laccase.
1.3.3.5: bilirubin oxidase.
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Biological Process
GO:0030435 sporulation resulting in formation of a cellular spore
Cellular Component
GO:0030288 outer membrane-bounded periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4a68, PDBe:4a68, PDBj:4a68
PDBsum4a68
PubMed22281748
UniProtP07788|COTA_BACSU Laccase (Gene Name=cotA)

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