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Ligand · E1S

E1S · N~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamine

E1S, N~2~-{3-[4-(5-methylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamine (C19 H22 N2 O4 S, 374.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the…

Component
E1S
Formula
C19 H22 N2 O4 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

E1S in 2 structures; the first of them:

  • 3TT4 · Human MMP8 in complex with L-glutamate motif inhibitor · E1S A1 · binds GLY158, ILE159, LEU160, ALA161, HIS162, LEU193, VAL194, HIS197 and 12 more
  • 3TT4 · Human MMP8 in complex with L-glutamate motif inhibitor · E1S A1 · binds GLY158, ILE159, LEU160, ALA161, HIS162, LEU193, VAL194, HIS197 and 12 more

Residues it binds most

HIS 2, ALA 2, LEU 2, TYR 2, ARG 2, ASN 2, GLU 2, GLY 2, ILE 2, PRO 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion
  • MES · 2-(N-morpholino)-ethanesulfonic acid

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