Structure of PDB 3wid Chain C Binding Site BS01

Receptor Information

>3wid Chain C (length=358) Species: 273116 (Thermoplasma volcanium GSS1)

STINAIVTDAPKGGVKYTKIDMPEPYEAKLKPVYIGICGTDRGEVAGALS
FTYNPEGENFLVLGHEALLQVLDVSDNNYIKRGDFVVPLVRRPGKCVNCR
IGRQDNCSIGDPDKHEAGITGLHGFMRDVIYDDIQNLVKVNDPDLGKIAV
LTEPLKNVMKAFEVFDVVSKRSIFQNDDSTFIGKKMVVIGSGSEAFLYSF
VGKDRGFDVTMVNRHDETENKMKMMDDFGVGFSNYLKDMPDKIDLLVDTS
GDPSTIFKFVKKVNNNGVVILFGFNGKAPGYPVNGEDIDYIVERNITIAG
SVDAAKIHYVQALDSLSNWYHRHPQTIKDIITYEAKPEETNIFFQKPKGE
IKTVIKWP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 3wid Chain C Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wid Structural insight into glucose dehydrogenase from the thermoacidophilic archaeon Thermoplasma volcanium.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): C99 C102 C110 D116
• Binding residue (residue number reindexed from 1): C96 C99 C107 D113
• Annotation score: 1

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

External links

• PDB: RCSB:3wid, PDBe:3wid, PDBj:3wid
• PDBsum: 3wid
• PubMed: 24816096
• UniProt: Q979W2