Structure of PDB 8pn9 Chain F Binding Site BS02

Receptor Information
>8pn9 Chain F (length=241) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KISTEVGITNVDLSTVDKPKTTRVTYPAKAKGTFIAFALFFQLVDVNTGA
ELTPHQTFVRLHNQKTGQEVVFVAEPDNKNVYKFELDTSERKIEFDSASG
TYTLYLIIGDATLKNPILWNVADVVIKFPNLFTPKQEIQHLFREPEKRPP
TVVSNTFTALILSPLLLLFALWIRIGANVSNFTFAPSTIIFHLGHAAMLG
LMYVYWTQLNMFQTLKYLAILGSVTFLAGNRMLAQQAVKRT
Ligand information
Ligand IDEGY
InChIInChI=1S/C33H66NO8P/c1-6-8-10-12-14-16-17-18-20-22-24-26-33(36)42-31(30-41-43(37,38)40-28-27-34(3,4)5)29-39-32(35)25-23-21-19-15-13-11-9-7-2/h31H,6-30H2,1-5H3/p+1/t31-/m1/s1
InChIKeyGGHWXDCJHDYMKO-WJOKGBTCSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
CACTVS 3.385CCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 12.01OP(=O)(OCC[N+](C)(C)C)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
FormulaC33 H67 N O8 P
Name(4R,7R)-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-7-[(undecanoyloxy)methyl]-3,5,8-trioxa-4lambda~5~-phosphadocosan-1-aminium
ChEMBL
DrugBank
ZINC
PDB chain8pn9 Chain F Residue 702 [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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PDB8pn9 Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
Resolution3.61 Å
Binding residue
(original residue number in PDB)		Y593 M599
Binding residue
(residue number reindexed from 1)		Y205 M211
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006487 protein N-linked glycosylation
Cellular Component
GO:0008250 oligosaccharyltransferase complex
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:8pn9, PDBe:8pn9, PDBj:8pn9
PDBsum8pn9
PubMed38670073
UniProtP04844|RPN2_HUMAN Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 2 (Gene Name=RPN2)

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