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Ligand · BJ2

BJ2 · (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid

BJ2, (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid (C18 H28 N4 O8, 428.4 g/mol), in the…

Component
BJ2
Formula
C18 H28 N4 O8
Class
ligand
Structures
5
PDB entries
3

Binding sites

BJ2 in 5 structures; the first of them:

  • 6EN5 · Crystal structure A of the Angiotensin-1 converting enzyme N-domain in complex with a… · BJ2 A702 · binds GLN259, HIS331, ALA332, SER333, ALA334, HIS361, GLU362, HIS365 and 11 more
  • 6TT3 · Crystal structure of 'Res_S2 mutant human Angiotensin-1 converting enzyme N-domain in… · BJ2 A714 · binds GLN259, HIS331, ALA332, SER333, ALA334, VAL358, HIS361, GLU362 and 11 more
  • 6EN5 · Crystal structure a of the angiotensin-1 converting enzyme N-domain in complex with a… · BJ2 A702 · binds GLN259, HIS331, ALA332, SER333, ALA334, HIS361, GLU362, HIS365 and 9 more
  • 6EN6 · Crystal structure B of the angiotensin-1 converting enzyme N-domain in complex with a… · BJ2 A711 · binds GLN259, HIS331, ALA332, SER333, ALA334, HIS361, GLU362, HIS365 and 9 more
  • 6TT3 · Crystal structure of 'RES_S2 mutant human angiotensin-1 converting enzyme N-domain in… · BJ2 A714 · binds GLN259, HIS331, ALA332, SER333, ALA334, HIS361, GLU362, HIS365 and 8 more

Residues it binds most

HIS 16, TYR 16, ALA 16, GLU 16, PHE 16, THR 16, GLN 16, LYS 16, SER 16, ARG 4 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • FUC · alpha-L-fucopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CL · Chloride ion
  • EDO · 1,2-ethanediol
  • PEG · Di(hydroxyethyl)ether
  • PGE · Triethylene glycol
  • PG4 · Tetraethylene glycol
  • BCN · Bicine
  • MG · Magnesium ion
  • ACT · Acetate ion

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