Structure of PDB 8pn9 Chain G Binding Site BS01

Receptor Information

>8pn9 Chain G (length=411) Species: 9606 (Homo sapiens)

ASGPRTLVLLDNLNVRETHSLFFRSLKDRGFELTFKTADDPSLSLIKYGE
FLYDNLIIFSPSVEDFGGNINVETISAFIDGGGSVLVAASSDIGDPLREL
GSECGIEFDEEKTAVIDHHNYDISDLGQHTLIVADTENLLKAPTIVGKSS
LNPILFRGVGMVADPDNPLVLDILTGSSTSYSFFPDKPITQYPHAVGKNT
LLIAGLQARNNARVIFSGSLDFFSDSFFNSAVQKAAPGSQRYSQTGNYEL
AVALSRWVFKEEGVLRVGPVSHHRVGETAPPNAYTVTDLVEYSIVIQQLS
NGKWVPFDGDDIQLEFVRIDPFVRTFLKKKGGKYSVQFKLPDVYGVFQFK
VDYNRLGYTHLYSSTQVSVRPLQHTQYERFIPSAYPYYASAFSMMLGLFI
FSIVFLHMKEK

Ligand information

• Ligand ID: MAN
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
• InChIKey: WQZGKKKJIJFFOK-PQMKYFCFSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.341: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  CACTVS 3.341: OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: alpha-D-mannopyranose;
  alpha-D-mannose;
  D-mannose;
  mannose
• ChEMBL: CHEMBL365590
• ZINC: ZINC000003860903
• PDB chain: 8pn9 Chain J Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8pn9 Positive selection CRISPR screens reveal a druggable pocket in an oligosaccharyltransferase required for inflammatory signaling to NF-kappa B.
• Resolution: 3.61 Å
• Binding residue (original residue number in PDB): P362 F363
• Binding residue (residue number reindexed from 1): P321 F322
• Annotation score: 4

Gene Ontology

Biological Process

• GO:0018279 protein N-linked glycosylation via asparagine

Cellular Component

• GO:0005789 endoplasmic reticulum membrane

External links

• PDB: RCSB:8pn9, PDBe:8pn9, PDBj:8pn9
• PDBsum: 8pn9
• PubMed: 38670073
• UniProt: P39656|OST48_HUMAN Dolichyl-diphosphooligosaccharide--protein glycosyltransferase 48 kDa subunit (Gene Name=DDOST)