Structure of PDB 3wie Chain A Binding Site BS04

Receptor Information
>3wie Chain A (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 IDBGC
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6-/m1/s1
InChIKeyWQZGKKKJIJFFOK-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain3wie Chain A Residue 1004 [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)		T43 E156 D306
Binding residue
(residue number reindexed from 1)		T42 E155 D305
Annotation score5
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

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

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