Structure of PDB 3wie Chain B Binding Site BS01

Receptor Information
>3wie Chain B (length=360) Species: 273116 (Thermoplasma volcanium GSS1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STINAIVTDAPKGGVKYTKIDMPEPEKYEAKLKPVYIGICGTDRGEVAGA
LSFTYNPEGENFLVLGHEALLQVLDVSDNNYIKRGDFVVPLVRRPGKCVN
CRIGRQDNCSIGDPDKHEAGITGLHGFMRDVIYDDIQNLVKVNDPDLGKI
AVLTEPLKNVMKAFEVFDVVSKRSIFQNDDSTFIGKKMVVIGSGSEAFLY
SFVGKDRGFDVTMVNRHDETENKMKMMDDFGVGFSNYLKDMPDKIDLLVD
TSGDPSTIFKFVKKVNNNGVVILFGFNGKAPGYPVNGEDIDYIVERNITI
AGSVDAAKIHYVQALDSLSNWYHRHPQTIKDIITYEAKPEETNIFFQKPK
GEIKTVIKWP
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3wie Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3wie Structural insight into glucose dehydrogenase from the thermoacidophilic archaeon Thermoplasma volcanium.
Resolution2.33 Å
Binding residue
(original residue number in PDB)		C41 H68 E69
Binding residue
(residue number reindexed from 1)		C40 H67 E68
Annotation score1
Enzymatic activity
Enzyme Commision number 1.1.1.47: glucose 1-dehydrogenase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005536 D-glucose binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0047934 glucose 1-dehydrogenase (NAD+) activity
GO:0047935 glucose 1-dehydrogenase (NADP+) activity
GO:0047936 glucose 1-dehydrogenase [NAD(P)+] activity
GO:0070401 NADP+ binding
GO:0070403 NAD+ binding
Biological Process
GO:0019595 non-phosphorylated glucose catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:3wie, PDBe:3wie, PDBj:3wie
PDBsum3wie
PubMed24816096
UniProtQ979W2

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