Structure of PDB 2cdc Chain B Binding Site BS03

Receptor Information
>2cdc Chain B (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 IDXYS
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
InChIKeySRBFZHDQGSBBOR-LECHCGJUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0C1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O
CACTVS 3.341O[C@@H]1CO[C@H](O)[C@H](O)[C@H]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-D-xylopyranose;
alpha-D-xylose;
D-xylose;
xylose;
XYLOPYRANOSE
ChEMBL
DrugBankDB03389
ZINCZINC000001529214
PDB chain2cdc Chain B Residue 1370 [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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PDB2cdc The structural basis of substrate promiscuity in glucose dehydrogenase from the hyperthermophilic archaeon Sulfolobus solfataricus.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		K137 Q314 V317 V318
Binding residue
(residue number reindexed from 1)		K130 Q307 V310 V311
Annotation score1
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:2cdc, PDBe:2cdc, PDBj:2cdc
PDBsum2cdc
PubMed16556607
UniProtO93715|GLCDH_SACSO Glucose 1-dehydrogenase (Gene Name=gdh)

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