Structure of PDB 8pn9 Chain A Binding Site BS07

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 IDZXT
InChIInChI=1S/C17H22N4O3S2/c1-12-11-18-17(25-12)19-16(22)14-10-13(26(23,24)20(2)3)6-7-15(14)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,22)
InChIKeyQPKGRLIYJGBKJL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1cnc(s1)NC(=O)c2cc(ccc2N3CCCC3)S(=O)(=O)N(C)C
CACTVS 3.385CN(C)[S](=O)(=O)c1ccc(N2CCCC2)c(c1)C(=O)Nc3sc(C)cn3
FormulaC17 H22 N4 O3 S2
Name5-(dimethylsulfamoyl)-~{N}-(5-methyl-1,3-thiazol-2-yl)-2-pyrrolidin-1-yl-benzamide
ChEMBL
DrugBank
ZINC
PDB chain8pn9 Chain A Residue 806 [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)		G210 F256 R329 F330 L333 I345 V349 M403
Binding residue
(residue number reindexed from 1)		G204 F250 R301 F302 L305 I317 V321 M375
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
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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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