Structure of PDB 2b5w Chain A Binding Site BS01

Receptor Information
>2b5w Chain A (length=357) Species: 2252 (Haloferax mediterranei) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKAIAVKRGEDRPVVIEKPRPEPESGEALVRTLRVGVCGTDHEVIAGGHG
GFPEGEDHLVLGHEAVGVVVDPNDTELEEGDIVVPTVRRPPASGTNEYFE
RDQPDMAPDGMYFERGIVGAHGYMSEFFTSPEKYLVRIPRSQAELGFLIE
PISITEKALEHAYASRSAFDWDPSSAFVLGNGSLGLLTLAMLKVDDKGYE
NLYCLGRRDRPDPTIDIIEELDATYVDSRQTPVEDVPDVYEQMDFIYEAT
GFPKHAIQSVQALAPNGVGALLGVPSDWAFEVDAGAFHREMVLHNKALVG
SVNSHVEHFEAATVTFTKLPKWFLEDLVTGVHPLSEFEAAFDDDDTTIKT
AIEFSTV
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 chain2b5w Chain A Residue 800 [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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PDB2b5w Analysis of protein solvent interactions in glucose dehydrogenase from the extreme halophile Haloferax mediterranei.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		C38 H63 E64
Binding residue
(residue number reindexed from 1)		C38 H63 E64
Annotation score1
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:0042802 identical protein binding
GO:0042803 protein homodimerization 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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:2b5w, PDBe:2b5w, PDBj:2b5w
PDBsum2b5w
PubMed16551747
UniProtQ977U7|GLCDH_HALMT Glucose 1-dehydrogenase (Gene Name=gdh)

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