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Ligand · 3Y7

3Y7 · 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine

3Y7, 7-(morpholin-4-yl)-2,1,3-benzoxadiazol-4-amine (C10 H12 N4 O2, 220.2 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 it binds most and…

Component
3Y7
Formula
C10 H12 N4 O2
Class
ligand
Structures
4
PDB entries
2

Binding sites

3Y7 in 4 structures; the first of them:

  • 5LU9 · Crystal structure of YVAD-cmk bound human legumain (AEP) in complex with compound 11 · 3Y7 A305 · binds HIS252, HIS256, GLN269, LYS273, SER276
  • 5LUB · Crystal structure of human legumain (AEP) in complex with compound 11 · 3Y7 B304 · binds ARG44, HIS45, SNN147, HIS148, GLU187, ALA188, CYS189, SER215 and 5 more
  • 5LU9 · Crystal structure of yvad-cmk bound human legumain (aep) in complex with compound 11 · 3Y7 A305 · binds HIS252, HIS256, GLN269, LYS273, SER276
  • 5LUB · Crystal structure of human legumain (aep) in complex with compound 11 · 3Y7 B304 · binds ARG44, HIS45, HIS148, GLU187, CYS189, SER216, ALA218, ASP231

Residues it binds most

HIS 4, SER 4, ALA 2, GLU 2, ARG 2, ASP 2, CYS 2, GLN 2, LYS 2, SNN 1 (residue and the binding sites it lines).

Found with

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • SNN · L-3-aminosuccinimide
  • SO4 · Sulfate ion
  • 0QE · Chloromethane
  • ACE · Acetyl group

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