Structure of PDB 3d47 Chain E Binding Site BS01

Receptor Information
>3d47 Chain E (length=405) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MENIMTLPKIKHVRAWFIGGATAEKGAGGGDYHDQGGNHWIDDHIATPMS
KYRDYEQSRQSFGINVLGTLIVEVEAENRQTGFAVSTAGEMGCFIVEKHL
NRFIEGKCVSDIKLIHDQMLGATMYYSGSGGLVMNTISCVDLALWDLFGK
VVGLPVYKLLGGAVRDEIQFYATGARPDLAKEMGFIGGKMPTHWGPHDGD
AGIRKDAAMVADMREKCGPDFWLMLDCWMSQDVNYATKLAHACAPFNLKW
IEECLPPQQYEGYRELKRNAPAGMMVTSGEHHGTLQSFRTLAETGIDIMQ
PDVGWCGGLTTLVEIAALAKSRGQLVVPHGSSVYSHHAVITFTNTPFSEF
LMTSPDCSTLRPQFDPILLDEPVPVNGRIHKSVLDKPGFGVELNRDCHLK
RPYSH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3d47 Chain E Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3d47 Crystal structure of L-rhamnonate dehydratase from Salmonella typhimurium complexed with Mg and D-malate.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D226 E252 E280
Binding residue
(residue number reindexed from 1)		D226 E252 E280
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) K189 P191 G195 H197 A201 D226 W228 E252 T277 E280 Q300 D302 H329 E349 P362
Catalytic site (residue number reindexed from 1) K189 P191 G195 H197 A201 D226 W228 E252 T277 E280 Q300 D302 H329 E349 P362
Enzyme Commision number 4.2.1.90: L-rhamnonate dehydratase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016829 lyase activity
GO:0016836 hydro-lyase activity
GO:0046872 metal ion binding
GO:0050032 L-rhamnonate dehydratase activity
Biological Process
GO:0009063 amino acid catabolic process
GO:0016052 carbohydrate catabolic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:3d47, PDBe:3d47, PDBj:3d47
PDBsum3d47
PubMed
UniProtQ8ZNF9|RHMD_SALTY L-rhamnonate dehydratase (Gene Name=rhmD)

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