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Ligand · NQI

NQI · N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide

NQI, N~2~-[(2S)-2-{[(2R)-4-ethoxy-2-hydroxy-4-oxobutanoyl]amino}pent-4-enoyl]-L-arginyl-L-tryptophanamide (C28 H40 N8 O7, 600.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its…

Component
NQI
Formula
C28 H40 N8 O7
Class
ligand
Structures
2
PDB entries
1

Binding sites

NQI in 2 structures; the first of them:

  • 2NQI · Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl-type inhibitor. · NQI A501 · binds GLN109, LEU112, GLY113, ASP114, CYS115, TRP116, SER206, GLY207 and 8 more
  • 2NQI · Calpain 1 proteolytic core inactivated by WR13(R,R), an epoxysuccinyl- type inhibitor. · NQI A501 · binds GLN109, LEU112, GLY113, ASP114, CYS115, TRP116, SER206, GLY207 and 8 more

Residues it binds most

GLY 2, CYS 2, SER 2, TRP 2, ALA 2, ASP 2, GLN 2, HIS 2, LEU 2, THR 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion

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