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Ligand · NBA

NBA · 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol

NBA, 3-[(3-{[3-(methylamino)propyl]amino}propyl)amino]propane-1,1-diol (C10 H25 N3 O2, 219.3 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues…

Component
NBA
Formula
C10 H25 N3 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

NBA in 4 structures; the first of them:

  • 1H84 · COVALENT ADDUCT BETWEEN POLYAMINE OXIDASE AND N1ethylN11((cycloheptyl)methyl)4,8diazaundec… · NBA A591 · binds TRP60, GLU62, PHE89, TYR169, GLU170, PHE189, ASP194, VAL196 and 2 more
  • 1H86 · COVALENT ADDUCT BETWEEN POLYAMINE OXIDASE AND N1ethylN11((cycloheptyl)methyl)4,8diazaundec… · NBA A591 · binds TRP60, GLU62, PHE89, TYR169, GLU170, PHE189, ASP194, VAL196 and 2 more
  • 1H84 · Covalent adduct between polyamine oxidase and N1ETHYLN11((CYCLOHEPTYL)METHYL)4,8DIAZAUNDEC… · NBA A591 · binds TRP60, GLU62, PHE89, TYR169, GLU170, PHE189, ASP194, VAL196 and 2 more
  • 1H86 · Covalent adduct between polyamine oxidase and N1ETHYLN11((CYCLOHEPTYL)METHYL)4,8DIAZAUNDEC… · NBA A591 · binds TRP60, GLU62, PHE89, TYR169, GLU170, PHE189, ASP194, VAL196 and 2 more

Residues it binds most

PHE 12, TYR 12, GLU 12, ASP 12, TRP 12, VAL 12, ASN 4 (residue and the binding sites it lines).

Found with

  • FAD · Flavin-adenine dinucleotide
  • FCA · alpha-D-fucopyranose
  • MAN · alpha-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose

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