GL1X · GenesisL1 explorer

Ligand · QKE

QKE · (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide

QKE, (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylfuran-2-yl)methyl]pyrrolidine-2-carboxamide (C19 H22 Cl N3 O3, 375.9 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
QKE
Formula
C19 H22 Cl N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

QKE in 2 structures; the first of them:

  • 6ZGO · Thrombin in complex with D-Phe-Pro-2-chlorofuran derivative (13l) · QKE H306 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ILE174, ASP189 and 10 more
  • 6ZGO · Thrombin in complex with D-phe-pro-2-chlorofuran derivative (13L) · QKE H306 · binds HIS57, TYR60A, TRP60D, GLU97A, ASN98, LEU99, ALA190, SER195 and 6 more

Residues it binds most

GLY 2, SER 2, TRP 2, TYR 2, ALA 2, ASN 2, GLU 2, HIS 2, LEU 2, PHE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide

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