Structure of PDB 8iaj Chain H Binding Site BS01

Receptor Information
>8iaj Chain H (length=182) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPVTDHRRRRAAAVISHVEQETFEDENDQQMLPNMNATWVDQRGAWLIH
IVVIVLLRLFYSLFGSTPKWTWTLTNMTYIIGFYIMFHLVKGTPFDFNGG
AYDNLTMWEQINDETLYTPTRKFLLIVPIVLFLISNQYYRNDMTLFLSNL
AVTVLIGVVPKLGITHRLRISIPGITGRAQIS
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 chain8iaj Chain F Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8iaj Collaborative regulation of yeast SPT-Orm2 complex by phosphorylation and ceramide.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		N71 W74 H84 M120
Binding residue
(residue number reindexed from 1)		N37 W40 H50 M86
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005515 protein binding
GO:0042802 identical protein binding
Biological Process
GO:0006672 ceramide metabolic process
GO:0006986 response to unfolded protein
GO:0030148 sphingolipid biosynthetic process
GO:0090155 negative regulation of sphingolipid biosynthetic process
GO:0090156 intracellular sphingolipid homeostasis
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0017059 serine palmitoyltransferase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8iaj, PDBe:8iaj, PDBj:8iaj
PDBsum8iaj
PubMed38285738
UniProtQ06144|ORM2_YEAST Protein ORM2 (Gene Name=ORM2)

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