Structure of PDB 2cdb Chain C Binding Site BS01

Receptor Information
>2cdb Chain C (length=358) Species: 2287 (Saccharolobus solfataricus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAIIVKPPNAGVQVKDVDEKKLDSYGKIKIRTIYNGICGADREIVNGKL
KDFLVLGHEAIGVVEESYHGFSQGDLVMPVNRRGCGICRNCLVGRPDFCE
TGEFGEAGIHKMDGFMREWWYDDPKYLVKIPKSIEDIGILAQPLADIEKS
IEEILEVQKRVPVWTCDDGTLNCRKVLVVGTGPIGVLFTLLFRTYGLEVW
MANRREPTEVEQTVIEETKTNYYNSSNGYDKLKDSVGKFDVIIDATGADV
NILGNVIPLLGRNGVLGLFGFSTSGSVPLDYKTLQEIVHTNKTIIGLVNG
QKPHFQQAVVHLASWKTLYPKAAKMLITKTVSINDEKELLKVLREKEHGE
IKIRILWE
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 C 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 F279 N307
Binding residue
(residue number reindexed from 1)		E106 Q142 D146 F271 N299
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

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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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