Structure of PDB 7yjo Chain D Binding Site BS02

Receptor Information
>7yjo Chain D (length=146) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PPDMNRNTEWFMYPGVWTTYMLILFFGWLVVLSVSGCSPGMAWTVVNLAH
FVVTYHSFHWMKGTPFADDQGIYNGLTWWEQMDNGQQLTRNRKFLTLVPV
VLYLIASHTTDYRHPWLFLNTLAVMVLVVAKFPNMHKVRIFGINGD
Ligand information
Ligand IDZ1T
InChIInChI=1S/C42H83NO3/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-26-28-30-32-34-36-38-42(46)43-40(39-44)41(45)37-35-33-31-29-27-25-16-14-12-10-8-6-4-2/h35,37,40-41,44-45H,3-34,36,38-39H2,1-2H3,(H,43,46)/b37-35+/t40-,41+/m0/s1
InChIKeyZJVVOYPTFQEGPH-AUTSUKAISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O
CACTVS 3.370CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCCCC
ACDLabs 12.01O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)C=CCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C=CCCCCCCCCCCCCC)O
FormulaC42 H83 N O3
NameN-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]tetracosanamide
ChEMBL
DrugBank
ZINCZINC000040164306
PDB chain7yjo Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7yjo Mechanism of sphingolipid homeostasis revealed by structural analysis of Arabidopsis SPT-ORM1 complex.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		N17 W20 Y30 S67 P75 W88
Binding residue
(residue number reindexed from 1)		N7 W10 Y20 S57 P65 W78
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0006979 response to oxidative stress
GO:0010150 leaf senescence
GO:0030148 sphingolipid biosynthetic process
GO:0034976 response to endoplasmic reticulum stress
GO:0042742 defense response to bacterium
GO:0090156 intracellular sphingolipid homeostasis
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7yjo, PDBe:7yjo, PDBj:7yjo
PDBsum7yjo
PubMed36989369
UniProtQ9C5I0

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