Structure of PDB 7yiy Chain D Binding Site BS01

Receptor Information
>7yiy Chain D (length=153) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNVGTAHSEVNPNTRVMNSRGIWLSYVLAIGLLHIVLLSIPFVSVPVVWT
LTNLIHNMGMYIFLHTVKGTPFETPDQGKARLLTHWEQMDYGVQFTASRK
FLTITPIVLYFLTSFYTKYDQIHFVLNTVSLMSVLIPKLPQLHGVRIFGI
NKY
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 chain7yiy Chain D Residue 201 [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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PDB7yiy Ceramide sensing by human SPT-ORMDL complex for establishing sphingolipid homeostasis.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		N13 F63
Binding residue
(residue number reindexed from 1)		N13 F63
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0002903 negative regulation of B cell apoptotic process
GO:0006672 ceramide metabolic process
GO:0006686 sphingomyelin biosynthetic process
GO:0006940 regulation of smooth muscle contraction
GO:0010508 positive regulation of autophagy
GO:0030148 sphingolipid biosynthetic process
GO:0042552 myelination
GO:0044255 cellular lipid metabolic process
GO:0061744 motor behavior
GO:0090153 regulation of sphingolipid biosynthetic process
GO:0090156 intracellular sphingolipid homeostasis
GO:1900060 negative regulation of ceramide biosynthetic process
GO:1900182 positive regulation of protein localization to nucleus
GO:2000303 regulation of ceramide biosynthetic process
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0017059 serine palmitoyltransferase complex
GO:0030667 secretory granule membrane
GO:0035579 specific granule membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7yiy, PDBe:7yiy, PDBj:7yiy
PDBsum7yiy
PubMed37308477
UniProtQ8N138|ORML3_HUMAN ORM1-like protein 3 (Gene Name=ORMDL3)

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