Structure of PDB 3osh Chain A Binding Site BS02

Receptor Information
>3osh Chain A (length=119) Species: 195058 (Naja sagittifera) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NLYQFKNMIQCTVPSRSWADFADYGCYCGKGGSGTPVDDLDRCCQTHDNC
YNEAENISGCRPYFKTYSYECTQGTLTCKGDNNACAASVCDCDRLAAICF
AGAPYNDANYNIDLKARCN
Ligand information
Ligand IDOIN
InChIInChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15-,16-/m1/s1
InChIKeyRKUNBYITZUJHSG-QKPAOTATSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OC2CC1N(C)C(CC1)C2)C(c3ccccc3)CO
OpenEye OEToolkits 1.5.0CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)[C@H](CO)c3ccccc3
CACTVS 3.341CN1[CH]2CC[CH]1CC(C2)OC(=O)[CH](CO)c3ccccc3
FormulaC17 H23 N O3
Name(1R,5S)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL (2R)-3-HYDROXY-2-PHENYLPROPANOATE;
ATROPINE
ChEMBLCHEMBL1234973
DrugBank
ZINCZINC000100068360
PDB chain3osh Chain A Residue 5811 [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]
PDB3osh Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A Resolution
Resolution1.5 Å
Binding residue
(original residue number in PDB)		L2 F5 W19 F22 G30 H48 Y64
Binding residue
(residue number reindexed from 1)		L2 F5 W18 F21 G29 H47 Y63
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Y28 G30 G32 H48 D49 Y52 Y68 D94
Catalytic site (residue number reindexed from 1) Y27 G29 G31 H47 D48 Y51 Y67 D93
Enzyme Commision number 3.1.1.4: phospholipase A2.
Gene Ontology
Molecular Function
GO:0004623 phospholipase A2 activity
GO:0005509 calcium ion binding
GO:0005543 phospholipid binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047498 calcium-dependent phospholipase A2 activity
Biological Process
GO:0006644 phospholipid metabolic process
GO:0016042 lipid catabolic process
GO:0050482 arachidonate secretion
Cellular Component
GO:0005576 extracellular region

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3osh, PDBe:3osh, PDBj:3osh
PDBsum3osh
PubMed
UniProtP60045|PA2A3_NAJSG Acidic phospholipase A2 3 (Fragment)

[Back to BioLiP]