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Ligand · AYQ

AYQ · N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide

AYQ, N~2~-({(1R,2R,3S)-2-(methylcarbamoyl)-3-[4-(phosphonooxy)phenyl]cyclopropyl}carbonyl)-D-glutaminyl-D-aspartamide (C21 H29 N6 O10 P, 556.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding…

Component
AYQ
Formula
C21 H29 N6 O10 P
Class
ligand
Structures
2
PDB entries
1

Binding sites

AYQ in 2 structures; the first of them:

  • 3IN7 · Crystal Structure of the Grb2 SH2 Domain in Complex with a Cyclopropyl-constrained… · AYQ A1 · binds ARG67, ARG86, SER88, SER90, SER96, GLN106, HIS107, PHE108 and 4 more
  • 3IN7 · Crystal structure of the GRB2 SH2 domain in complex with a cyclopropyl-constrained… · AYQ A1 · binds ARG67, ARG86, SER88, SER90, SER96, GLN106, HIS107, PHE108 and 4 more

Residues it binds most

SER 4, ARG 4, LEU 4, GLN 4, HIS 4, LYS 4, PHE 4, TRP 4, GLU 2 (residue and the binding sites it lines).

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