Structure of PDB 3l12 Chain B Binding Site BS01

Receptor Information

>3l12 Chain B (length=295) Species: 89184 (Ruegeria pomeroyi)

GFSQLEGLRGHPSVVRVIGHRGARGVMPENTLEGFAFTLAAGVRALEFDV
VMTADGVPVVTHNHHLANAMTRDGQGHWLTGAERQVAEMTYAEIRALDVG
GLDGRTVYGRRFPDQAFLTGIHVPRLGELLDLCAGYGDQAPYLLLELKSD
PAHDHAARAEMVAAVLADVRRYRMEPRTVMHSFDWALLGECRRQAPDLPT
SYLSQLPEGPDYDRMTESLPQAVASAGGQLWCPYFLDVTPELVAEAHDLG
LIVLTWTVNEPEDIRRMATTGVDGIVTDYPGRTQRILIDMGLSWT

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: 3l12 Chain B Residue 313

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3l12 Crystal structure of Putative glycerophosphoryl diester phosphodiesterase (YP_165505.1) from Silicibacter pomeroyi DSS-3 at 1.60 A resolution
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): E49 D51 E148
• Binding residue (residue number reindexed from 1): E47 D49 E146
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H22 R23 E49 D51 H64 E148 K150 D295
• Catalytic site (residue number reindexed from 1): H20 R21 E47 D49 H62 E146 K148 D278

Gene Ontology

Molecular Function

• GO:0008081 phosphoric diester hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006629 lipid metabolic process

External links

• PDB: RCSB:3l12, PDBe:3l12, PDBj:3l12
• PDBsum: 3l12
• UniProt: Q5LX22