Structure of PDB 8c81 Chain A Binding Site BS01

Receptor Information
>8c81 Chain A (length=184) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTEPVKDHRRRRAAAIISHVEPETFEDENDQQLLPNMNATWVDQRGAWII
HVVIIILLKLFYNLFPGVTTEWSWTLTNMTYVIGSYVMFHLIKGTPFDFN
GGAYDNLTMWEQIDDETLYTPSRKFLISVPIALFLVSTHYAHYDLKLFSW
NCFLTTFGAVVPKLPVTHRLRISIPGITGRAQIS
Ligand information
Ligand IDZ8A
InChIInChI=1S/C44H89NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43(48)45-41(40-46)44(49)42(47)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h41-42,44,46-47,49H,3-40H2,1-2H3,(H,45,48)/t41-,42+,44-/m0/s1
InChIKeyGKRXVCWVXYHWOD-KZRDWULCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O
CACTVS 3.370CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
ACDLabs 12.01O=C(NC(CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
FormulaC44 H89 N O4
NameN-[(2S,3S,4R)-1,3,4-trihydroxyoctadecan-2-yl]hexacosanamide
ChEMBL
DrugBank
ZINCZINC000087495993
PDB chain8c81 Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c81 Structure of the ceramide-bound SPOTS complex.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		W79 M117 M126 I130
Binding residue
(residue number reindexed from 1)		W41 M79 M88 I92
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005515 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:8c81, PDBe:8c81, PDBj:8c81
PDBsum8c81
PubMed37794019
UniProtP53224|ORM1_YEAST Protein ORM1 (Gene Name=ORM1)

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