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Ligand · 3EF

3EF · N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine

3EF, N-{(2S)-3-[(S)-[(1R)-1-{[(benzyloxy)carbonyl]amino}-2-phenylethyl](hydroxy)phosphoryl]-2-[(3-phenyl-1,2-oxazol-5-yl)methyl]propanoyl}-L-tyrosine (C38 H38 N3 O9 P, 711.7 g/mol), in the MolNFT structures on GenesisL1: bound in 6 records…

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

Binding sites

3EF in 6 structures; the first of them:

  • 4CA5 · Human Angiotensin converting enzyme in complex with a phosphinic tripeptide FI · 3EF A1700 · binds GLN281, THR282, HIS353, ALA354, SER355, ALA356, GLU376, VAL380 and 17 more
  • 4CA6 · Human Angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide FI · 3EF A1630 · binds GLN259, HIS331, ALA332, SER333, ALA334, ASP354, SER357, THR358 and 19 more
  • 4CA7 · Drosophila Angiotensin converting enzyme (AnCE) in complex with a phosphinic tripeptide FI · 3EF A1715 · binds GLN265, GLN266, HIS337, ALA338, SER339, ALA340, ASP360, PHE363 and 18 more
  • 4CA5 · Human angiotensin converting enzyme in complex with a phosphinic tripeptide fi · 3EF A1700 · binds GLN281, THR282, HIS353, ALA354, SER355, ALA356, GLU376, VAL380 and 17 more
  • 4CA6 · Human angiotensin converting enzyme N-domain in complex with a phosphinic tripeptide fi · 3EF A1630 · binds GLN259, HIS331, ALA332, SER333, ALA334, ASP354, SER357, THR358 and 19 more
  • 4CA7 · Drosophila angiotensin converting enzyme (ance) in complex with a phosphinic tripeptide fi · 3EF A1715 · binds GLN265, GLN266, HIS337, ALA338, SER339, ALA340, ASP360, PHE363 and 18 more

Residues it binds most

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

Found with

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

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