Structure of PDB 3ea3 Chain A Binding Site BS02

Receptor Information

>3ea3 Chain A (length=296) Species: 1428 (Bacillus thuringiensis)

ASSVNELENWSKWMQPIPDNIPLARISIPGTHDSGTFKLQNPIKQVWGMT
QEYDFRYQMDHGARIFDIRGRLTDDNTIVLHHGPLYLYVTLHEFINEAKQ
FLKDNPSETIIMSLKKEYEDMKGAEGSFSSTFEKNYFVDPIFLKTEGNIK
LGDARGKIVLLKRYSGSNESGGYNNFYWPDNETFTTTVNQNVNVTVQDKY
KVNYDEKVKSIKDTMDETMNNSEDLNHLYINFTSLSSGGTAWNSPSSSAS
SINPEIANDIKQKNPTRVGWVIQDYINEKWSPLLYQEVIRANKSLI

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3ea3 Chain A Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ea3 Modulation of Bacillus thuringiensis Phosphatidylinositol-specific Phospholipase C Activity by Mutations in the Putative Dimerization Interface.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): D224 H227
• Binding residue (residue number reindexed from 1): D224 H227
• Annotation score: 1

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

External links

• PDB: RCSB:3ea3, PDBe:3ea3, PDBj:3ea3
• PDBsum: 3ea3
• PubMed: 19369255
• UniProt: P08954|PLC_BACTU 1-phosphatidylinositol phosphodiesterase