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Ligand · 3ES

3ES · [(2S)-2-({3-[hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1R)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl)

3ES, [(2S)-2-({3-[hydroxyl(2-phenyl-(1R)-1-{[(benzyloxy)[(2s)-2-({3-[hydroxyl(2-phenyl-(1R)-1-carbonyl]-amino}ethyl)phosphinyl]-2-[(3-phenylisoxazol-5-yl)methyl]-1-oxo-propyl}amino)-3-(4-hydroxy-phenyl) (C38 H38 N3 O9 P, 711.7 g/mol), in…

Component
3ES
Formula
C38 H38 N3 O9 P
Class
ligand
Structures
6
PDB entries
3

Binding sites

3ES in 6 structures; the first of them:

  • 2XY9 · Human Angiotensin converting enzyme in complex with phosphinic tripeptide · 3ES A1635 · binds GLN281, THR282, HIS353, ALA354, SER355, ALA356, GLU376, VAL380 and 16 more
  • 2XYD · human Angiotenisn converting enzyme N-domain in complex with Phosphinic tripeptide · 3ES A1611 · binds GLN259, SER260, GLU262, HIS331, ALA332, SER333, ALA334, ASP354 and 19 more
  • 4CA8 · Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide… · 3ES A1615 · binds GLN265, GLN266, HIS337, ALA338, SER339, ALA340, ASP360, THR364 and 17 more
  • 2XY9 · Human angiotensin converting enzyme in complex with phosphinic tripeptide · 3ES A1635 · binds GLN281, THR282, HIS353, ALA354, SER355, ALA356, GLU376, VAL380 and 16 more
  • 2XYD · Human angiotenisn converting enzyme N-domain in complex with phosphinic tripeptide · 3ES A1611 · binds GLN259, SER260, GLU262, HIS331, ALA332, SER333, ALA334, ASP354 and 19 more
  • 4CA8 · Drosophila angiotensin converting enzyme (ance) in complex with a phosphinic tripeptide… · 3ES A1615 · binds GLN265, GLN266, HIS337, ALA338, SER339, ALA340, ASP360, THR364 and 17 more

Residues it binds most

HIS 8, GLU 10, PHE 8, TYR 10, ALA 10, LYS 10, SER 10, ASP 8, THR 8, GLN 8 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • BMA · beta-D-mannopyranose
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • FUC · alpha-L-fucopyranose
  • CL · Chloride ion
  • MAN · alpha-D-mannopyranose
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
  • P6G · Hexaethylene glycol
  • PEG · Di(hydroxyethyl)ether
  • PG4 · Tetraethylene glycol

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