Structure of PDB 2cdb Chain D Binding Site BS01

Receptor Information
>2cdb Chain D (length=359) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGADREIVNGKL
GKDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFC
ETGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEK
SIEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEV
WMANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGAD
VNILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVN
GQKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHG
EIKIRILWE
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 chain2cdb Chain D Residue 1368 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2cdb The Structural Basis of Substrate Promiscuity in Glucose Dehydrogenase from the Hyperthermophilic Archaeon Sulfolobus Solfataricus.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E114 Q150 D154 N307
Binding residue
(residue number reindexed from 1)		E107 Q143 D147 N300
Annotation score5
Enzymatic activity
Enzyme Commision number 1.1.1.120: galactose 1-dehydrogenase (NADP(+)).
1.1.1.359: aldose 1-dehydrogenase [NAD(P)(+)].
1.1.1.47: glucose 1-dehydrogenase [NAD(P)(+)].
1.1.1.48: D-galactose 1-dehydrogenase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005534 galactose binding
GO:0005536 D-glucose binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0019151 galactose 1-dehydrogenase activity
GO:0033222 xylose binding
GO:0046872 metal ion binding
GO:0047640 aldose 1-dehydrogenase activity
GO:0047910 galactose 1-dehydrogenase (NADP+) activity
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
GO:0033498 galactose catabolic process via D-galactonate
GO:0051262 protein tetramerization

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2cdb, PDBe:2cdb, PDBj:2cdb
PDBsum2cdb
PubMed16556607
UniProtO93715|GLCDH_SACSO Glucose 1-dehydrogenase (Gene Name=gdh)

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