Structure of PDB 2cdb Chain C Binding Site BS04

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 IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain2cdb Chain C Residue 1371 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		C93 C96 C99 C107
Binding residue
(residue number reindexed from 1)		C85 C88 C91 C99
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
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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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