Structure of PDB 2iqx Chain B Binding Site BS01

Receptor Information
>2iqx Chain B (length=185) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AADISQWAGPLSLQEVDEPPQHALRVDYGGVTVDELGKVLTPTQVMNRPS
SISWDGLDPGKLYTLVLTDPDAPSRKDPKFREWHHFLVVNMKGNDISSGT
VLSEYVGSGPPKDTGLHRYVWLVYEQEQPLNCDEPILSNKSGDNRGKFKV
EEFRKKYHLGAPVAGTCFQAEWDDSVPKLHDQLAG
Ligand information
Ligand IDOPE
InChIInChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKeySUHOOTKUPISOBE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(COP(=O)(O)O)N
ACDLabs 10.04O=P(O)(O)OCCN
CACTVS 3.341NCCO[P](O)(O)=O
FormulaC2 H8 N O4 P
NamePHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER;
COLAMINE PHOSPHORIC ACID
ChEMBLCHEMBL146972
DrugBankDB01738
ZINCZINC000003870166
PDB chain2iqx Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2iqx Rat Phosphatidylethanolamine-Binding Crystal structure of Protein Containing the S153E Mutation in the Complex with o-Phosphorylethanolamine
Resolution2.2 Å
Binding residue
(original residue number in PDB)		D70 W84 H86 S109 G110 P111 Y120
Binding residue
(residue number reindexed from 1)		D69 W83 H85 S108 G109 P110 Y119
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity
GO:0005102 signaling receptor binding
GO:0005524 ATP binding
GO:0008289 lipid binding
GO:0019899 enzyme binding
GO:0019900 kinase binding
GO:0019901 protein kinase binding
GO:0033612 receptor serine/threonine kinase binding
GO:0051019 mitogen-activated protein kinase binding
Biological Process
GO:0000165 MAPK cascade
GO:0002026 regulation of the force of heart contraction
GO:0006979 response to oxidative stress
GO:0007286 spermatid development
GO:0009410 response to xenobiotic stimulus
GO:0009636 response to toxic substance
GO:0010466 negative regulation of peptidase activity
GO:0014823 response to activity
GO:0021766 hippocampus development
GO:0042755 eating behavior
GO:0043409 negative regulation of MAPK cascade
GO:0043950 positive regulation of cAMP-mediated signaling
GO:0045471 response to ethanol
GO:0045840 positive regulation of mitotic nuclear division
GO:0048240 sperm capacitation
GO:0051412 response to corticosterone
GO:0051591 response to cAMP
GO:0051592 response to calcium ion
GO:0051602 response to electrical stimulus
GO:0060409 positive regulation of acetylcholine metabolic process
GO:1905923 positive regulation of acetylcholine biosynthetic process
Cellular Component
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005741 mitochondrial outer membrane
GO:0008021 synaptic vesicle
GO:0009986 cell surface
GO:0016020 membrane
GO:0043025 neuronal cell body
GO:0043679 axon terminus
GO:0045177 apical part of cell

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2iqx, PDBe:2iqx, PDBj:2iqx
PDBsum2iqx
PubMed
UniProtP31044|PEBP1_RAT Phosphatidylethanolamine-binding protein 1 (Gene Name=Pebp1)

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