Structure of PDB 7s2s Chain B Binding Site BS01

Receptor Information

>7s2s Chain B (length=199) Species: 9606 (Homo sapiens)

SQFTCFYNSRANISCVWSQDTSCQVHAWPDRRRWNQTCELLPVSQASWAC
NLILGAPDSQKLTTVDIVTLRVLCREGVRWRVMAIQDFKPFENLRLMAPI
SLQVVHVETHRCNISWEISQASHYFERHLEFEARTLSPGHTWEEAPLLTL
KQKQEWICLETLTPDTQYEFQVRVKPLQGEFTTWSPWSQPLAFRTKPAA

Ligand information

• Ligand ID: FUC
• InChI: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3+,4+,5-,6+/m0/s1
• InChIKey: SHZGCJCMOBCMKK-SXUWKVJYSA-N
• SMILES:
  CACTVS 3.341: C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1O)C
  OpenEye OEToolkits 1.5.0: CC1C(C(C(C(O1)O)O)O)O
  OpenEye OEToolkits 1.5.0: C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)O)O)O)O
  CACTVS 3.341: C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5
• Name: alpha-L-fucopyranose;
  alpha-L-fucose;
  6-deoxy-alpha-L-galactopyranose;
  L-fucose;
  fucose
• ChEMBL: CHEMBL1232862
• DrugBank: DB04473
• ZINC: ZINC000001532814
• PDB chain: 7s2s Chain E Residue 3

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7s2s Facile discovery of surrogate cytokine agonists.
• Resolution: 1.93 Å
• Binding residue (original residue number in PDB): S45 R131 L132 M133 P222
• Binding residue (residue number reindexed from 1): S14 R95 L96 M97 P186
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0004896 cytokine receptor activity

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:7s2s, PDBe:7s2s, PDBj:7s2s
• PDBsum: 7s2s
• PubMed: 35325595
• UniProt: P14784|IL2RB_HUMAN Interleukin-2 receptor subunit beta (Gene Name=IL2RB)