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Ligand · R38

R38 · (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid

R38, (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid (C15 H18 N2 O3 S, 306.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues…

Component
R38
Formula
C15 H18 N2 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

R38 in 2 structures; the first of them:

  • 5N4S · VIM-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2-methylpropanoyl)-D-tryptoph… · R38 A504 · binds TYR67, TRP87, HIS116, ASP118, HIS179, ARG205, GLY209, ASN210 and 3 more
  • 5N4S · Vim-2 metallo-beta-lactamase in complex with ((S)-3-mercapto-2… · R38 A504 · binds TYR67, TRP87, HIS116, ASP118, HIS179, ARG205, GLY209, ASN210 and 3 more

Residues it binds most

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

Found with

  • ZN · Zinc ion
  • FMT · Formic acid

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