Structure of PDB 3ea3 Chain A Binding Site BS01

Receptor Information
>3ea3 Chain A (length=296) Species: 1428 (Bacillus thuringiensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASSVNELENWSKWMQPIPDNIPLARISIPGTHDSGTFKLQNPIKQVWGMT
QEYDFRYQMDHGARIFDIRGRLTDDNTIVLHHGPLYLYVTLHEFINEAKQ
FLKDNPSETIIMSLKKEYEDMKGAEGSFSSTFEKNYFVDPIFLKTEGNIK
LGDARGKIVLLKRYSGSNESGGYNNFYWPDNETFTTTVNQNVNVTVQDKY
KVNYDEKVKSIKDTMDETMNNSEDLNHLYINFTSLSSGGTAWNSPSSSAS
SINPEIANDIKQKNPTRVGWVIQDYINEKWSPLLYQEVIRANKSLI
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain3ea3 Chain A Residue 299 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ea3 Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface.
Resolution1.78 Å
Binding residue
(original residue number in PDB)		H32 D33 H82
Binding residue
(residue number reindexed from 1)		H32 D33 H82
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H32 D33 R69 H82 D274
Catalytic site (residue number reindexed from 1) H32 D33 R69 H82 D274
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ea3, PDBe:3ea3, PDBj:3ea3
PDBsum3ea3
PubMed19369255
UniProtP08954|PLC_BACTU 1-phosphatidylinositol phosphodiesterase

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