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Ligand · B22

B22 · [2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper

B22, [2,2'-{[2-({3-[({2-[4-(aminosulfonyl)phenyl]ethyl}amino)carbonyl]phenyl}amino)-2-oxoethyl]imino}diacetato(2-)-kappao]copper (C21 H22 Cu N4 O8 S, 554.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry).…

Component
B22
Formula
C21 H22 Cu N4 O8 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B22 in 2 structures; the first of them:

  • 2FOU · Human Carbonic Anhydrase II complexed with two-prong inhibitors · B22 A301 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, GLY132 and 9 more
  • 2FOU · Human carbonic anhydrase II complexed with two-prong inhibitors · B22 A301 · binds GLN92, HIS94, HIS96, GLU106, HIS119, VAL121, PHE131, GLY132 and 9 more

Residues it binds most

HIS 4, TRP 4, VAL 2, LEU 2, PHE 4, THR 2, ASN 2, ASP 2, GLN 2, GLU 2 (residue and the binding sites it lines).

Found with

  • CU · Copper (II) ion
  • ZN · Zinc ion
  • GOL · Glycerol

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