Structure of PDB 7ylg Chain A Binding Site BS01

Receptor Information

>7ylg Chain A (length=142) Species: 9031 (Gallus gallus)

KPFDAFISYSEHDADWTKEHLLKKLETDGFKICYHERDFKPGHPVLGNIF
YCIENSHKVLFVLSPSFVNSCWCQYELYFAEHRVQDSLIMVVLEDLPPDS
VPQKFSKLRKLLKRKTYLKWSPEEHKQKIFWHQLAAVLKTTN

Ligand information

• Ligand ID: GSH
• InChI: InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
• InChIKey: RWSXRVCMGQZWBV-WDSKDSINSA-N
• SMILES:
  ACDLabs 12.01: O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
  OpenEye OEToolkits 1.7.6: C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
  CACTVS 3.370: N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
  CACTVS 3.370: N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
  OpenEye OEToolkits 1.7.6: C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
• Formula: C10 H17 N3 O6 S
• Name: GLUTATHIONE
• ChEMBL: CHEMBL1543
• DrugBank: DB00143
• ZINC: ZINC000003830891
• PDB chain: 7ylg Chain A Residue 901

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7ylg Structural analysis of the Toll-like receptor 15 TIR domain.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): Y713 S714 E715 H739 E740 F771 S774 W776 C777
• Binding residue (residue number reindexed from 1): Y9 S10 E11 H35 E36 F67 S70 W72 C73
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.2.2.6: ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase.

Gene Ontology

Molecular Function

• GO:0004888 transmembrane signaling receptor activity

Biological Process

• GO:0002224 toll-like receptor signaling pathway
• GO:0006955 immune response
• GO:0007165 signal transduction

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:7ylg, PDBe:7ylg, PDBj:7ylg
• PDBsum: 7ylg
• PubMed: 37079400
• UniProt: H2D5F4