Structure of PDB 8u53 Chain B Binding Site BS01

Receptor Information
>8u53 Chain B (length=574) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EFGSFLVSLGTSFVIFVILMLLFTWLSRKSGNAPIYYPNRILKGLEPWEG
TSLTRNPFAWMREALTSSEQDVVNLSGVDTAVHFVFLSTVLGIFACSSLL
LGAVYWISLVTYFFLWKAYKHVSSLRAQALMSADVKPEQFAILVRDMPAP
PDGQTQKEFIDSYFREIYPETFYRSLVATAAAAAAAAAAAAAAAAAAAAA
AAAAAAAAAAAAAAAAQQTAAVVFFTTRVAAASAAQSLHCQMVDKWTVTE
APEPRQLLWQNLNIKLFSRIIRQYFIYFFVAVTILFYMIPIAFVSAITRT
VLESFLPQIALIVFLAMLPKLLLFLSKAEGIPSQSHAIRAASGKYFYFSV
FNVFIGVTLAGTLFNMIINLLATSLPKSATFFLTYVALKFFIGYGLELSR
IIPLIIFHLKKKYLCKTEAEVKEAWYPGDLSYATRVPGDMLILTITFCYS
VIAPLILIFGITYFGLGWLVLRNQALKVYVPSYESYGRMWPHIHQRILAA
LFLFQVVMFGYLGAKTFFYTALVIPLIITSLIFGYVCRQKFYGGFEHTAL
EVACRELKQSPDLEEIFRAYIPHS
Ligand information
Ligand IDCPL
InChIInChI=1S/C42H80NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h14,16,20-21,40H,6-13,15,17-19,22-39H2,1-5H3/b16-14-,21-20-/t40-/m1/s1
InChIKeyJLPULHDHAOZNQI-ZTIMHPMXSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCCCCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
FormulaC42 H80 N O8 P
Name1-PALMITOYL-2-LINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
PALMITOYL-LINOLEOYL PHOSPHATIDYLCHOLINE
ChEMBL
DrugBankDB02306
ZINC
PDB chain8u53 Chain B Residue 802 [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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PDB8u53 Structure-guided mutagenesis of OSCAs reveals differential activation to mechanical stimuli.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L66 S68 E70 S89 S99 G588 W591
Binding residue
(residue number reindexed from 1)		L65 S67 E69 S88 S98 G465 W468
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0034220 monoatomic ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0000325 plant-type vacuole
GO:0005634 nucleus
GO:0005886 plasma membrane
GO:0009506 plasmodesma
GO:0009941 chloroplast envelope
GO:0016020 membrane

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8u53, PDBe:8u53, PDBj:8u53
PDBsum8u53
PubMed38592763
UniProtQ9C8G5|CSCLD_ARATH CSC1-like protein ERD4 (Gene Name=ERD4)

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