Structure of PDB 2gl5 Chain A Binding Site BS01

Receptor Information
>2gl5 Chain A (length=401) 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]
SLKITSIEVFDCELKKRDQTMSSYNPVLIRVNTDSGLSGIGEVGLAYGAG
AKAGVGIIRDLAPLIVGEDPLNIEKIWEFFFRKTFWGMGGGNVFYAGMSA
IDIALWDIKGKYLGVPVYQLLGGKTNEKLRTYASQLQFGWGDKNHILVTP
EEYAEAARAALDDGYDAIKVDPLEIDRNGDDCVFQNRNRNYSGLLLADQL
KMGEARIAAMREAMGDDADIIVEIHSLLGTNSAIQFAKAIEKYRIFLYEE
PIHPLNSDNMQKVSRSTTIPIATGERSYTRWGYRELLEKQSIAVAQPDLC
LCGGITEGKKICDYANIYDTTVQVHVCGGPVSTVAALHMETAIPNFIIHE
HHTNAMKASIRELCTHDYQPENGYYVAPEQPGLGQELNDEVVKEYLAYVI
K
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 chain2gl5 Chain A Residue 699 [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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PDB2gl5 Crystal Structure of Putative Dehydratase from Salmonella Thyphimurium Lt2
Resolution1.6 Å
Binding residue
(original residue number in PDB)		E222 E248 E274
Binding residue
(residue number reindexed from 1)		E223 E249 E275
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) L44 G47 K168 D170 I174 E222 H224 E248 G273 E274 R275 Q295 D297 H324 C326 E349 A354
Catalytic site (residue number reindexed from 1) L45 G48 K169 D171 I175 E223 H225 E249 G274 E275 R276 Q296 D298 H325 C327 E350 A355
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2gl5, PDBe:2gl5, PDBj:2gl5
PDBsum2gl5
PubMed
UniProtQ8ZNH1

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