Structure of PDB 8c80 Chain A Binding Site BS01

Receptor Information
>8c80 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 chain8c80 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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PDB8c80 Structure of the ceramide-bound SPOTS complex.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		W79 H89 M117 Y119 M126 I130 P134 M147
Binding residue
(residue number reindexed from 1)		W41 H51 M79 Y81 M88 I92 P96 M109
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:8c80, PDBe:8c80, PDBj:8c80
PDBsum8c80
PubMed37794019
UniProtP53224|ORM1_YEAST Protein ORM1 (Gene Name=ORM1)

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