Structure of PDB 5fyr Chain D Binding Site BS02

Receptor Information
>5fyr Chain D (length=297) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QESPAFIDPASWNTPFNGIAQVACHNCYEKQYANTFSSVLDSVRTLELDF
WDQRDAVSGGSPHHWFVRHNPGTLFQSGNDNNCTGDGTGKNDLEACLNDV
KNWSDKHPGHFPITLILDKKQGWSKESSGRTPKDFDELVARVFQGKLFTP
QDLATHIGSGAGALQGNLKGKSWPTANDLQGKVLLVLNHSENQKLSQYAE
ARTSKAKVFISPVTNGQNDISGKVSGMSSQSSGYVAMNNMGKGDKSWAKQ
AFAYSHIGRVWGDDEVSFAQHINQKINLSAYYRFAAQSAGGYRIRPF
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 chain5fyr Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5fyr The structure of a calcium-dependent phosphoinositide-specific phospholipase C from Pseudomonas sp. 62186, the first from a Gram-negative bacterium.
Resolution1.45 Å
Binding residue
(original residue number in PDB)		N27 E48 D50 D119
Binding residue
(residue number reindexed from 1)		N26 E47 D49 D118
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008081 phosphoric diester hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006629 lipid metabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5fyr, PDBe:5fyr, PDBj:5fyr
PDBsum5fyr
PubMed28045383
UniProtA0A1S4NYD4

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