Structure of PDB 4e6m Chain E Binding Site BS01

Receptor Information

>4e6m Chain E (length=401) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium)

MMKITSIEVFDCELKKRDQTMSSYNPVLIRVNTDSGLSGIGEVGLAYGAG
AKAGVGIIRDLAPLIVGEDPLNIEKIWEFFFRKTFWGMGGGNVFYAGMSA
IDIALWDIKGKYLGVPVYQLLGGKTNEKLRTYASQLQFGWGDKRHILVTP
EEYAEAARAALDDGYDAIKVDPLEIDRNGDDCVFQNRNRNYSGLLLADQL
KMGEARIAAMREAMGDDADIIVEIHSLLGTNSAIQFAKAIEKYRIFLYEE
PIHPLNSDNMQKVSRSTTIPIATGERSYTRWGYRELLEKQSIAVAQPDLC
LCGGITEGKKICDYANIYDTTVQVHVCGGPVSTVAALHMETAIPNFIIHE
HHTNAMKASIRELCTHDYQPENGYYVAPEQPGLGQELNDEVVKEYLAYVI
K

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4e6m Chain E Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4e6m Crystal structure of Putative dehydratase protein from Salmonella enterica subsp. enterica serovar Typhimurium (Salmonella typhimurium)
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): E222 E248 E274
• Binding residue (residue number reindexed from 1): E223 E249 E275
• Annotation score: 4

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

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:4e6m, PDBe:4e6m, PDBj:4e6m
• PDBsum: 4e6m
• UniProt: Q8ZNH1