Structure of PDB 8pn9 Chain A Binding Site BS04

Receptor Information
>8pn9 Chain A (length=655) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LRLSYEKQDTLLKLLILSMAAVLSFSTRLFAVLRFESVIHEFDPYFNYRT
TRFLAEEGFYKFHNWFDDRAWYPLGRIIGGTIYPGLMITSAAIYHVLHFF
HITIDIRNVCVFLAPLFSSFTTIVTYHLTKELKDAGAGLLAAAMIAVVPG
YISRSVAGSYDNEGIAIFCMLLTYYMWIKAVKTGSICWAAKCALAYFYMV
SSWGGYVFLINLIPLHVLVLMLTGRFSHRIYVAYCTVYCLGTILSMQISF
VGFQPVLSSEHMAAFGVFGLCQIHAFVDYLRSKLNPQQFEVLFKISPWTG
RFYSLLDPSYAKNNIPIIASVSEHQPTTWSSYYFDLQLLVFMFPVGLYYC
FSNLSDARIFIIMYGVTSMYFSAVMVRLMLVLAPVMCILSGIGVSQVLST
YMKNLDISKNEVASGMILVMAFFLITYTFHSTWVTSEAYSSPSIVLSARI
IFDDFREAYYWLRHNTPEDAKVMSWWDYGYQITAMANRTILVDNNTWNNT
HISRVGQAMASTEEKAYEIMRELDVSYVLVIFGGLTGYSSDDINKFLWMV
RIGGSTDTGKHIKENDYYTPTGEFRVDREGSPVLLNCLMYKMCYYRFGQV
YTEAKRPPGFDRVRNAEIGNKDFELDVLEEAYTTEHWLVRIYKVKDLDNR
GLSRT
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 A Residue 803 [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)		T229 F379 L382 M391
Binding residue
(residue number reindexed from 1)		T223 F351 L354 M363
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.99.18: dolichyl-diphosphooligosaccharide--protein glycotransferase.
Gene Ontology
Molecular Function
GO:0004576 oligosaccharyl transferase activity
GO:0004579 dolichyl-diphosphooligosaccharide-protein glycotransferase activity
GO:0005515 protein binding
GO:0016757 glycosyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006486 protein glycosylation
GO:0006487 protein N-linked glycosylation
GO:0018279 protein N-linked glycosylation via asparagine
GO:0043686 co-translational protein modification
GO:0043687 post-translational protein modification
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0008250 oligosaccharyltransferase complex
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8pn9, PDBe:8pn9, PDBj:8pn9
PDBsum8pn9
PubMed38670073
UniProtP46977|STT3A_HUMAN Dolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit STT3A (Gene Name=STT3A)

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