Structure of PDB 1aod Chain A Binding Site BS01

Receptor Information
>1aod Chain A (length=274) Species: 1639 (Listeria monocytogenes) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTTKQWMSALPDTTNLAALSIPGTHDTMSYNGDITWTLTKPLAQTQTMSL
YQQLEAGIRYIDIRAKDNLNIYHGPIFLNASLSGVLETITQFLKKNPKET
IIMRLKDEQNSNDSFDYRIQPLINIYKDYFYTTPRTDTSNKIPTLKDVRG
KILLLSENHTKKPLVINSRKFGMQFGAPNQVIQDDYNGPSVKTKFKEIVQ
TAYQASKADNKLFLNHISATSLTFTPRQYAAALNNKVEQFVLNLTSEKVR
GLGILIMDFPEKQTIKNIIKNNKF
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 chain1aod Chain A Residue 296 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1aod Crystal structure of the phosphatidylinositol-specific phospholipase C from the human pathogen Listeria monocytogenes.
Resolution2.6 Å
Binding residue
(original residue number in PDB)
H45 R84 R124 K126 D204 Y206
Binding residue
(residue number reindexed from 1)
H25 R64 R104 K106 D184 Y186
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H45 D46 R84 H93 D278
Catalytic site (residue number reindexed from 1) H25 D26 R64 H73 D258
Enzyme Commision number 4.6.1.13: phosphatidylinositol diacylglycerol-lyase.
Gene Ontology
Molecular Function
GO:0004436 phosphatidylinositol diacylglycerol-lyase activity
GO:0008081 phosphoric diester hydrolase activity
GO:0016829 lyase activity
Biological Process
GO:0006629 lipid metabolic process
GO:0016042 lipid catabolic process
Cellular Component
GO:0005576 extracellular region
GO:0005737 cytoplasm

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:1aod, PDBe:1aod, PDBj:1aod
PDBsum1aod
PubMed9367761
UniProtP34024|PLC_LISMO 1-phosphatidylinositol phosphodiesterase (Gene Name=plcA)

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