Structure of PDB 5nit Chain A Binding Site BS02

Receptor Information
>5nit Chain A (length=581) Species: 5061 (Aspergillus niger) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIEASLLTDPKDVSGRTVDYIIAGGGLVGLTTAARLTENPNISVLVIESG
SYESDRGPIIEDLNAYGDIFGSSVDHAYETVELATNNQTALVRSGNGLGG
STLVNGGTWTRPHKAQVDSWETVFGNEGWNWDNVAAYSLQAERARAPNAK
QIAAGHYFNTSCHGVNGTVHAGPRDTGDDYSPIVKALMSAVEDRGVPTKK
DFGCGDPHGVSMFPNTLHEDQVRSDAAREWLLPNYQRPNLQVLTGQYVGK
VLLSQNGTTPRAVGVEFGTHKGNTHNVYAKHEVLLAAGSAVSPTILEYSG
IGMKSILEPLGIDTVVDLPVGLNLQDQTTATVRSRITSAGAGQGQAAWFA
TFNETFGDYSEKAHELLNTKLEQWAEEAVARGGFHNTTALLIQYENYRDW
IVNHNVAYSELFLDTAGVASFDVWDLLPFTRGYVHILDKDPYLHHFAYDP
QYFLNELDLLGQAAATQLARNISNSGAMQTYFAGETIPGDNLAYDADLSA
WTEYIPYHFRPNYHGVGTCSMMPKEMGGVVDNAAKVYGVQGLRVIDGSIP
PTQVSSHVMTVFYAMALKISDAILEDYASMQ
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 chain5nit Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5nit Shuffling Active Site Substate Populations Affects Catalytic Activity: The Case of Glucose Oxidase.
Resolution1.87 Å
Binding residue
(original residue number in PDB)		H516 H559 V560
Binding residue
(residue number reindexed from 1)		H514 H557 V558
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) T357 W426 N514 H516 S558 H559
Catalytic site (residue number reindexed from 1) T355 W424 N512 H514 S556 H557
Enzyme Commision number 1.1.3.4: glucose oxidase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016614 oxidoreductase activity, acting on CH-OH group of donors
GO:0046562 glucose oxidase activity
GO:0050660 flavin adenine dinucleotide binding
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Cellular Component
External links
PDB RCSB:5nit, PDBe:5nit, PDBj:5nit
PDBsum5nit
PubMed29291138
UniProtP13006|GOX_ASPNG Glucose oxidase (Gene Name=gox)

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