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Ligand · EKX

EKX · (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

EKX, (1S)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid (C14 H17 N O3 S, 279.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
EKX
Formula
C14 H17 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

EKX in 2 structures; the first of them:

  • 6LJ2 · Crystal structure of NDM-1 in complex with heterodimer of D-captopril derivative wss02127… · EKX A305 · binds MET67, PHE70, TRP93, GLN123, LEU221
  • 6LJ2 · Crystal structure of ndm-1 in complex with heterodimer of D-captopril derivative WSS02127… · EKX A305 · binds MET67, PHE70, TRP93, GLN123, LEU221

Residues it binds most

GLN 2, LEU 2, MET 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • EEX · (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
  • ZN · Zinc ion
  • OH · Hydroxide ion

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