Structure of PDB 5t91 Chain A Binding Site BS01

Receptor Information
>5t91 Chain A (length=258) Species: 224308 (Bacillus subtilis subsp. subtilis str. 168) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLLSPDRILTVAHRGASGYVPEHTILSYETAQKMKADFIELDLQMTKDGK
LIVMHDEKLDRTTNGMGWVKDHTLADIKKLDAGSWFNEAYPEKAKPQYVG
LKVPTLEEVLDRFGKHANYYIETKSPDTYPGMEEKLIASLQKHKLLPGQV
IIQSFSKESLVKVHQLQPNLPTVQLLEAKQMASMTDAALEEIKTYAVGAG
PDYKALNQENVRMIRSHGLLLHPYTVNNEADMHRLLDWGVTGVFTNYPDL
FHKVKKGY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5t91 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5t91 Identification of Two Phosphate Starvation-induced Wall Teichoic Acid Hydrolases Provides First Insights into the Degradative Pathway of a Key Bacterial Cell Wall Component.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		H43 E70
Binding residue
(residue number reindexed from 1)		H13 E40
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H43 R44 E70 D72 H85 E152 K154 N281
Catalytic site (residue number reindexed from 1) H13 R14 E40 D42 H55 E122 K124 N246
Enzyme Commision number 3.1.4.46: glycerophosphodiester phosphodiesterase.
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0008889 glycerophosphodiester phosphodiesterase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006071 glycerol metabolic process
GO:0006629 lipid metabolic process
GO:0071555 cell wall organization
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5t91, PDBe:5t91, PDBj:5t91
PDBsum5t91
PubMed27780866
UniProtP37965|GLPQ_BACSU Glycerophosphodiester phosphodiesterase (Gene Name=glpQ)

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