Structure of PDB 8qog Chain A Binding Site BS01

Receptor Information
>8qog Chain A (length=177) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PVTDHRRRRAAAVISHVEQETFEDENDQQMLPNMNATWVDQRGAWLIHIV
VIVLLRLFYSLFGSTPKWTWTLTNMTYIIGFYIMFHLVKGTPFDFNGGAY
DNLTMWEQINDETLYTPTRKFLLIVPIVLFLISNQYYRNDMTLFLSNLAV
TVLIGVVPKLGITHRLRISIPGITGRA
Ligand information
Ligand IDWAR
InChIInChI=1S/C45H91NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-38-40-44(49)46-42(41-47)45(50)43(48)39-37-35-33-31-29-16-14-12-10-8-6-4-2/h42-43,45,47-48,50H,3-41H2,1-2H3,(H,46,49)/t42-,43+,45-/m0/s1
InChIKeyGQBDWMHDFCUVJD-LKFPOFNCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(CO)C(C(CCCCCCCCCCCCCC)O)O
CACTVS 3.385CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO)[CH](O)[CH](O)CCCCCCCCCCCCCC
FormulaC45 H91 N O4
Name~{N}-[(2~{S},3~{S},4~{R})-1,3,4-tris(oxidanyl)octadecan-2-yl]heptacosanamide
ChEMBL
DrugBank
ZINC
PDB chain8qog Chain A Residue 301 [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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PDB8qog The structure of the Orm2-containing serine palmitoyltransferase complex reveals distinct inhibitory potentials of yeast Orm proteins.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		N71 M120 M141
Binding residue
(residue number reindexed from 1)		N35 M84 M105
Annotation score1
External links