Structure of PDB 5sbt Chain A Binding Site BS01

Receptor Information

>5sbt Chain A (length=150) Species: 10090 (Mus musculus)

NQIDLNVTCRYAGVFHVEKNGRYSISRTEAADLCQAFNSTLPTMDQMKLA
LSKGFETCRYGFIEGNVVIPRIHPNAICAANHTGVYILVTSNTSHYDTYC
FNASAPPEEDCTSVTDLPNSFDGPVTITIVNRDGTRYSKKGEYRTHQEDI

Ligand information

• Ligand ID: VZP
• InChI: InChI=1S/C9H18N2O3S/c1-7(2)10-9(12)11(3)8-4-5-15(13,14)6-8/h7-8H,4-6H2,1-3H3,(H,10,12)/t8-/m1/s1
• InChIKey: RMWFRPZNASSVCZ-MRVPVSSYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.7: CC(C)NC(=O)N(C)C1CCS(=O)(=O)C1
  CACTVS 3.385: CC(C)NC(=O)N(C)[C@@H]1CC[S](=O)(=O)C1
  ACDLabs 12.01: N(C1CCS(C1)(=O)=O)(C(=O)NC(C)C)C
  CACTVS 3.385: CC(C)NC(=O)N(C)[CH]1CC[S](=O)(=O)C1
  OpenEye OEToolkits 2.0.7: CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
• Formula: C9 H18 N2 O3 S
• Name: N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea
• ZINC: ZINC000042838879
• PDB chain: 5sbt Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5sbt CD44 PanDDA analysis group deposition
• Resolution: 1.16 Å
• Binding residue (original residue number in PDB): N29 V153 R155
• Binding residue (residue number reindexed from 1): N6 V130 R132
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005540 hyaluronic acid binding

Biological Process

• GO:0007155 cell adhesion

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:5sbt, PDBe:5sbt, PDBj:5sbt
• PDBsum: 5sbt
• UniProt: P15379|CD44_MOUSE CD44 antigen (Gene Name=Cd44)