Structure of PDB 4akq Chain A Binding Site BS01

Receptor Information
>4akq Chain A (length=505) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGY
NGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHHEEPEVKTVVHL
HGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHA
MALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSL
FYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVIN
ASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDF
TAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLA
SYPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTT
EIWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPP
PPSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHDDYDMMRPM
DITDP
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 chain4akq Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4akq The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H419 C492 H497
Binding residue
(residue number reindexed from 1)		H413 C486 H491
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:4akq, PDBe:4akq, PDBj:4akq
PDBsum4akq
PubMed20200715
UniProtP07788|COTA_BACSU Laccase (Gene Name=cotA)

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