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Ligand · 9NK

9NK · (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid

9NK, (2~{R})-1-[(2~{S})-2-(phenylmethyl)-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid (C16 H21 N O3 S, 307.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within…

Component
9NK
Formula
C16 H21 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

9NK in 2 structures; the first of them:

  • 5O7N · Beta-lactamase VIM-2 in complex with (2R)-1-(2-Benzyl-3-mercaptopropanoyl)piperidine-2-car… · 9NK A305 · binds TYR67, TRP87, HIS116, ASP118, HIS179, ARG205, GLY209, ASN210 and 1 more
  • 5O7N · Beta-lactamase vim-2 in complex with (2R)-1-(2-benzyl-3… · 9NK A305 · binds TYR67, TRP87, HIS116, ASP118, HIS179, ARG205, GLY209, ASN210 and 1 more

Residues it binds most

HIS 4, TYR 4, ARG 4, ASN 4, ASP 4, GLY 4, TRP 4, CYS 2, PHE 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid

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