Structure of PDB 5fyr Chain B Binding Site BS01

Receptor Information
>5fyr Chain B (length=289) Species: 306 (Pseudomonas sp.) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QESPAFIDPASWNTPFNGIAQVACHNCYEKQYANTFSSVLDSVRTLELDF
WDQRDAVSGGSPHHWFVRHNPGSGNDNNCTGKNDLEACLNDVKNWSDKHP
GHFPITLILDKKQGWSKESSGRTPKDFDELVARVFQGKLFTPQDLATHIG
SGAGALQGNLKGKSWPTANDLQGKVLLVLNHSENQKLSQYAEARTSKAKV
FISPVTNGQNDISGKVSGMSSQSSGYVAMNNMGKGDKSWAKQAFAYSHIG
RVWGDDEVSFAQHINQKINLSAYYRFAAQSAGGYRIRPF
Ligand information
Ligand IDINS
InChIInChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChIKeyCDAISMWEOUEBRE-GPIVLXJGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1(C(C(C(C(C1O)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(O)C(O)C(O)C1O
CACTVS 3.341O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
FormulaC6 H12 O6
Name1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE;
MYO-INOSITOL
ChEMBLCHEMBL1222251
DrugBankDB13178
ZINCZINC000100018867
PDB chain5fyr Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		H26 E48 D119 N189 R260 W262
Binding residue
(residue number reindexed from 1)		H25 E47 D110 N180 R251 W253
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

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

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