Structure of PDB 2x88 Chain A Binding Site BS05

Receptor Information
>2x88 Chain A (length=504) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLEKFVDALPIPDTLKPVQQSKEKTYYEVTMEECTHQLHRDLPPTRLWGY
NGLFPGPTIEVKRNENVYVKWMNNLPSTHFLPIDHTIHEEPEVKTVVHLH
GGVTPDDSDGYPEAWFSKDFEQTGPYFKREVYHYPNQQRGAILWYHDHAM
ALTRLNVYAGLVGAYIIHDPKEKRLKLPSDEYDVPLLITDRTINEDGSLF
YPSAPENPSPSLPNPSIVPAFCGETILVNGKVWPYLEVEPRKYRFRVINA
SNTRTYNLSLDNGGDFIQIGSDGGLLPRSVKLNSFSLAPAERYDIIIDFT
AYEGESIILANSAGCGGDVNPETDANIMQFRVTKPLAQKDESRKPKYLAS
YPSVQHERIQNIRTLKLAGTQDEYGRPVLLLNNKRWHDPVTETPKVGTTE
IWSIINPTRGTHPIHLHLVSFRVLDRRPFDIARYQESGELSYTGPAVPPP
PSEKGWKDTIQAHAGEVLRIAATFGPYSGRYVWHCHILEHEDYDMMRPMD
ITDP
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 chain2x88 Chain A Residue 1516 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2x88 Mechanisms Underlying Dioxygen Reduction in Laccases. Structural and Modelling Studies Focusing on Proton Transfer.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		H105 H153 H155 H422 H491 H493
Binding residue
(residue number reindexed from 1)		H98 H146 H148 H415 H484 H486
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:2x88, PDBe:2x88, PDBj:2x88
PDBsum2x88
PubMed20822511
UniProtP07788|COTA_BACSU Laccase (Gene Name=cotA)

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