Structure of PDB 1xru Chain B Binding Site BS01

Receptor Information
>1xru Chain B (length=281) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSAMDVRQSIHSAHAKTLDTQGLRNEFLVEKVFVADEYTMVYSHIDRIIV
GGIMPITKTVSVGGEVGKQLGVSYFLERRELGVINIGGAGTITVDGQCYE
IGHRDALYVGKGAKEVVFASIDTGTPAKFYYNCAPAHTTYPTKKVTPDEV
SPVTLGDNLTSNRRTINKYFVPDVLETCQLSMGLTELAPGNLWNTMPCHT
HERRMEVYFYFNMDDDACVFHMMGQPQETRHIVMHNEQAVISPSWSIHSG
VGTKAYTFIWGMVGENQVFDDMDHVAVKEIC
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 chain1xru Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xru The crystal structure of 5-keto-4-deoxyuronate isomerase from Escherichia coli
Resolution1.94 Å
Binding residue
(original residue number in PDB)		H196 H198 E203 H245
Binding residue
(residue number reindexed from 1)		H199 H201 E206 H248
Annotation score1
Enzymatic activity
Enzyme Commision number 5.3.1.17: 5-dehydro-4-deoxy-D-glucuronate isomerase.
Gene Ontology
Molecular Function
GO:0004347 glucose-6-phosphate isomerase activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0008697 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase activity
GO:0016853 isomerase activity
GO:0016861 intramolecular oxidoreductase activity, interconverting aldoses and ketoses
GO:0042802 identical protein binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0019698 D-galacturonate catabolic process
GO:0042840 D-glucuronate catabolic process
GO:0045490 pectin catabolic process
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1xru, PDBe:1xru, PDBj:1xru
PDBsum1xru
PubMed16152643
UniProtQ46938|KDUI_ECOLI 4-deoxy-L-threo-5-hexosulose-uronate ketol-isomerase (Gene Name=kduI)

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