Structure of PDB 3l30 Chain A Binding Site BS02

Receptor Information
>3l30 Chain A (length=124) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALWQFRSMIKCAIPGSHPLMDFNNYGCYCGLGGSGTPVDELDRCCETHDN
CYRDAKNLDSCKFLVDNPYTESYSYSCSNTEITCNSKNNACEAFICNCDR
NAAICFSKAPYNKEHKNLDTKKYC
Ligand information
Ligand IDDBW
InChIInChI=1S/C18H15NO4/c20-15-2-1-10-5-14-12-7-17-16(22-9-23-17)6-11(12)3-4-19(14)8-13(10)18(15)21/h1-5,20-21H,6-9H2
InChIKeyLCTIMSLMTIKISI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1cc(c(c2c1C=C3C4=C(CC5=C(C4)OCO5)C=CN3C2)O)O
CACTVS 3.352Oc1ccc2C=C3N(Cc2c1O)C=CC4=C3CC5=C(C4)OCO5
FormulaC18 H15 N O4
Name4,14-dihydro-8H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline-9,10-diol
ChEMBL
DrugBank
ZINCZINC000058632442
PDB chain3l30 Chain A Residue 128 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3l30 Crystal structure of porcine pancreatic phospholipase A2 complexed with dihydroxyberberine
Resolution2.4 Å
Binding residue
(original residue number in PDB)		L31 N67 Y69
Binding residue
(residue number reindexed from 1)		L31 N67 Y69
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y28 G30 G32 H48 D49 Y52 Y73 D99
Catalytic site (residue number reindexed from 1) Y28 G30 G32 H48 D49 Y52 Y73 D99
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005102 signaling receptor binding
GO:0005509 calcium ion binding
GO:0005543 phospholipid binding
GO:0016787 hydrolase activity
GO:0032052 bile acid binding
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
Biological Process
GO:0002446 neutrophil mediated immunity
GO:0006629 lipid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0006644 phospholipid metabolic process
GO:0008284 positive regulation of cell population proliferation
GO:0010524 positive regulation of calcium ion transport into cytosol
GO:0016042 lipid catabolic process
GO:0019370 leukotriene biosynthetic process
GO:0030593 neutrophil chemotaxis
GO:0032652 regulation of interleukin-1 production
GO:0032757 positive regulation of interleukin-8 production
GO:0032869 cellular response to insulin stimulus
GO:0035556 intracellular signal transduction
GO:0043406 positive regulation of MAP kinase activity
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046324 regulation of D-glucose import
GO:0046470 phosphatidylcholine metabolic process
GO:0046471 phosphatidylglycerol metabolic process
GO:0048146 positive regulation of fibroblast proliferation
GO:0050482 arachidonate secretion
GO:0050778 positive regulation of immune response
GO:0051092 positive regulation of NF-kappaB transcription factor activity
GO:1904635 positive regulation of podocyte apoptotic process
Cellular Component
GO:0005576 extracellular region
GO:0009986 cell surface

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3l30, PDBe:3l30, PDBj:3l30
PDBsum3l30
PubMed
UniProtP00592|PA21B_PIG Phospholipase A2, major isoenzyme (Gene Name=PLA2G1B)

[Back to BioLiP]