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Ligand · B30

B30 · {2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper

B30, {2,2'-[(2-{[4-(aminosulfonyl)benzoyl]amino}ethyl)imino]diacetato(2-)-kappao}copper (C13 H15 Cu N3 O7 S, 420.9 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues…

Component
B30
Formula
C13 H15 Cu N3 O7 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

B30 in 4 structures; the first of them:

  • 2FOV · Human Carbonic Anhydrase II complexed with two-prong inhibitors · B30 A301 · binds TRP5, ASN62, HIS64, ASN67, GLN92, HIS94, HIS96, GLU106 and 11 more
  • 2FOY · Human Carbonic Anhydrase I complexed with a two-prong inhibitor · B30 A311 · binds TRP5, HIS67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL143 and 9 more
  • 2FOV · Human carbonic anhydrase II complexed with two-prong inhibitors · B30 A301 · binds TRP5, ASN62, HIS64, ASN67, GLN92, HIS94, HIS96, GLU106 and 11 more
  • 2FOY · Human carbonic anhydrase I complexed with a two-prong inhibitor · B30 A311 · binds TRP5, HIS67, GLN92, HIS94, HIS96, GLU106, HIS119, VAL143 and 9 more

Residues it binds most

HIS 16, SER 14, PRO 10, TRP 8, ASN 12, GLY 8, VAL 10, ASP 6, GLN 10, GLU 10 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • CCN · Acetonitrile
  • CU · Copper (II) ion

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