Structure of PDB 1t8q Chain D Binding Site BS01

Receptor Information
>1t8q Chain D (length=327) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EKIVIAHRGASGYLPEHTLPAKAMAYAQGADYLEQDLVMTKDDNLVVLHD
HYLDRVTDVADRFPDRARKDGRYYAIDFTLDEIKSLKFTEGFDIENGKKV
QTYPGRFPMGKSDFRVHTFEEEIEFVQGLNHSTGKNIGIYPEIKAPWFHH
QEGKDIAAKTLEVLKKYGYTGKDDKVYLQCFDADELKRIKNELEPKMGME
LNLVQLIAYTDWNETQQKQPDGSWVNYNYDWMFKPGAMKQVAEYADGIGP
DYHMLIEETSQPGNIKLTGMVQDAQQNKLVVHPYTVRSDKLPEYTPDVNQ
LYDALYNKAGVNGLFTDFPDKAVKFLN
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 chain1t8q Chain D Residue 1604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t8q The crystal structure of Glycerophosphoryl diester phosphodiesterase from E. coli
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E63 D65 E171
Binding residue
(residue number reindexed from 1)		E34 D36 E142
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H36 R37 E63 D65 H78 E171 K173 D346
Catalytic site (residue number reindexed from 1) H7 R8 E34 D36 H49 E142 K144 D317
Enzyme Commision number 3.1.4.46: glycerophosphodiester phosphodiesterase.
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0006629 lipid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1t8q, PDBe:1t8q, PDBj:1t8q
PDBsum1t8q
PubMed
UniProtP09394|GLPQ_ECOLI Glycerophosphodiester phosphodiesterase, periplasmic (Gene Name=glpQ)

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