Structure of PDB 6dkh Chain A Binding Site BS01

Receptor Information
>6dkh Chain A (length=345) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NAMQVKTQSCVVAGKKTVAVTEQTIDWNNNGTLVQITRGGICGSDLHYYQ
EGKVGNFMIKAPMVLGHEVIGKVIHSDSSELHEGQTVAINPSKPCGHCKY
CIEHNENQCTDMRFFGSAMYFPHVDGGFTRYKMVETSQCVPYPAKADEKV
MAFAEPLAVAIHAAHQAGELQGKRVFISGVGPIGCLIVSAVKTLGAAEIV
CADVSPRSLSLGKEMGADVLVNPQNDDMDHWKAEKGYFDVSFEVSGHPSS
VNTCLEVTRARGVMVQVGMGGAMAEFPMMTLIGKEISLRGSFRFTSEFNT
AVSWLANGVINPLPLLSAEYPFTDLEEALRFAGDKTQAAKVQLVF
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 chain6dkh Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6dkh The crystal structure of L-idonate 5-dehydrogenase from Escherichia coli str. K-12 substr. MG1655
Resolution2.608 Å
Binding residue
(original residue number in PDB)		C96 C99 C107
Binding residue
(residue number reindexed from 1)		C98 C101 C109
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C40 S42 H45 H65
Catalytic site (residue number reindexed from 1) C42 S44 H47 H67
Enzyme Commision number 1.1.1.264: L-idonate 5-dehydrogenase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0050572 L-idonate 5-dehydrogenase [NAD(P)+] activity
GO:0102198 L-idonate 5-dehydrogenase (NAD+) activity
Biological Process
GO:0019521 D-gluconate metabolic process
GO:0046183 L-idonate catabolic process

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6dkh, PDBe:6dkh, PDBj:6dkh
PDBsum6dkh
PubMed
UniProtP39346|IDND_ECOLI L-idonate 5-dehydrogenase (NAD(P)(+)) (Gene Name=idnD)

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