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Ligand · S6B

S6B · 3-chloranyl-4-imidazol-1-yl-benzaldehyde

S6B, 3-chloranyl-4-imidazol-1-yl-benzaldehyde (C10 H9 Cl N2 O, 208.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
S6B
Formula
C10 H9 Cl N2 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

S6B in 2 structures; the first of them:

  • 7AXN · 14-3-3 sigma in complex with Pin1 binding site pS72 and covalently bound TCF521-026 · S6B A301 · binds ASN42, PHE119, LYS122, PRO167, ILE168, GLY171, ASP215, ILE219 and 1 more
  • 7AXN · 14-3-3 sigma in complex with PIN1 binding site PS72 and covalently bound TCF521-026 · S6B A301 · binds ASN42, LYS122, PRO167, ILE168, GLY171, ILE219, TRP73

Residues it binds most

ILE 2, ASN 2, GLY 2, LYS 2, PRO 2, TRP 2, ASP 1, PHE 1 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • CL · Chloride ion

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