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Ligand · 54S

54S · N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide

54S, N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide (C26 H26 Cl N3 O4, 480.0 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within…

Component
54S
Formula
C26 H26 Cl N3 O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

54S in 4 structures; the first of them:

  • 5CU3 · Crystal structure of CK2alpha bound to CAM4066 · 54S A404 · binds LEU45, VAL53, VAL66, LYS68, ILE95, PHE113, VAL116, ASN118 and 16 more
  • 5CU4 · Crystal structure of CK2alpha bound to CAM4066 · 54S A404 · binds VAL53, VAL66, LYS68, ILE95, PHE113, VAL116, ASN118, PHE121 and 15 more
  • 5CU3 · Crystal structure of CK2ALPHA with compound 10 bound · 54S A404 · binds LEU45, VAL53, VAL66, LYS68, ILE95, PHE113, VAL116, ASN118 and 16 more
  • 5CU4 · Crystal structure of CK2ALPHA with compound 10 bound · 54S A404 · binds VAL53, VAL66, LYS68, ILE95, PHE113, VAL116, ASN118, PHE121 and 15 more

Residues it binds most

ILE 6, MET 6, VAL 6, LEU 6, PHE 6, TYR 6, ASN 6, ASP 6, HIS 6, LYS 6 (residue and the binding sites it lines).

Found with

  • ACT · Acetate ion
  • PO4 · Phosphate ion
  • DMS · Dimethyl sulfoxide

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