Structure of PDB 4e6m Chain G Binding Site BS01

Receptor Information
>4e6m Chain G (length=401) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMKITSIEVFDCELKKRDQTMSSYNPVLIRVNTDSGLSGIGEVGLAYGAG
AKAGVGIIRDLAPLIVGEDPLNIEKIWEFFFRKTFWGMGGGNVFYAGMSA
IDIALWDIKGKYLGVPVYQLLGGKTNEKLRTYASQLQFGWGDKRHILVTP
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 chain4e6m Chain G Residue 501 [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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PDB4e6m Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
Resolution1.8 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:4e6m, PDBe:4e6m, PDBj:4e6m
PDBsum4e6m
PubMed
UniProtQ8ZNH1

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