Structure of PDB 4ako Chain A Binding Site BS05

Receptor Information
>4ako Chain A (length=506) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGY
NGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHHSEEPEVKTVVH
LHGGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDH
AMALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGS
LFYPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVI
NASNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIID
FTAYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYL
ASYPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGT
TEIWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVP
PPPSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHLDYDMMRP
MDITDP
Ligand information
Ligand IDOXY
InChIInChI=1S/O2/c1-2
InChIKeyMYMOFIZGZYHOMD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		O=O
FormulaO2
NameOXYGEN MOLECULE
ChEMBLCHEMBL1234886
DrugBankDB09140
ZINC
PDB chain4ako Chain A Residue 605 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ako The Role of Glu498 in the Dioxygen Reactivity of Cota-Laccase from Bacillus Subtilis.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		H105 H153 H155 H491 H493
Binding residue
(residue number reindexed from 1)		H100 H148 H150 H486 H488
Annotation score5
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:4ako, PDBe:4ako, PDBj:4ako
PDBsum4ako
PubMed20200715
UniProtP07788|COTA_BACSU Laccase (Gene Name=cotA)

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