Structure of PDB 2gsh Chain B Binding Site BS01

Receptor Information
>2gsh Chain B (length=403) 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]
NIMTLPKIKHVRAWFIGGATAEKGAGGGDYHDQGGNHWIDDHIATPMSKY
RDYEQSRQSFGINVLGTLIVEVEAENRQTGFAVSTAGEMGCFIVEKHLNR
FIEGKCVSDIKLIHDQMLGATMYYSGSGGLVMNTISCVDLALWDLFGKVV
GLPVYKLLGGAVRDEIQFYATGARPDLAKEMGFIGGKMPTHWGPHDGDAG
IRKDAAMVADMREKCGPDFWLMLDCWMSQDVNYATKLAHACAPFNLKWIE
ECLPPQQYEGYRELKRNAPAGMMVTSGEHHGTLQSFRTLAETGIDIMQPD
VGWCGGLTTLVEIAALAKSRGQLVVPHGSSVYSHHAVITFTNTPFSEFLM
TSPDCSTLRPQFDPILLDEPVPVNGRIHKSVLDKPGFGVELNRDCHLKRP
YSH
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 chain2gsh Chain B Residue 414 [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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PDB2gsh Crystal Structure of L-rhamnonate dehydratase from Salmonella Typhimurium Lt2
Resolution2.393 Å
Binding residue
(original residue number in PDB)		D226 E252 E280
Binding residue
(residue number reindexed from 1)		D224 E250 E278
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y55 K189 P191 G195 H197 A201 D226 W228 E252 T277 G279 E280 Q300 D302 H329 E349 S354
Catalytic site (residue number reindexed from 1) Y53 K187 P189 G193 H195 A199 D224 W226 E250 T275 G277 E278 Q298 D300 H327 E347 S352
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

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Molecular Function
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Biological Process
External links
PDB RCSB:2gsh, PDBe:2gsh, PDBj:2gsh
PDBsum2gsh
PubMed
UniProtQ8ZNF9|RHMD_SALTY L-rhamnonate dehydratase (Gene Name=rhmD)

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