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Ligand · I38

I38 · N-(3-mercaptopropanoyl)-D-alanine

I38, N-(3-mercaptopropanoyl)-D-alanine (C6 H11 N O3 S, 177.2 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 residues it binds most and the ligands…

Component
I38
Formula
C6 H11 N O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

I38 in 2 structures; the first of them:

  • 2QDT · Structural Basis for the Broad-Spectrum Inhibition of Metallo-{Beta}-Lactamases: L1- IS38… · I38 A501 · binds TYR11, TRP17, HIS84, HIS86, ASP88, HIS89, PHE124, HIS160 and 3 more
  • 2QDT · Structural basis for the broad-spectrum inhibition of metallo-{beta}- lactamases: L1… · I38 A501 · binds TYR11, TRP17, HIS84, HIS86, ASP88, HIS89, PHE124, HIS160 and 3 more

Residues it binds most

HIS 2, ASP 2, PHE 2, PRO 2, SER 2, TRP 2, TYR 2 (residue and the binding sites it lines).

Found with

  • ZN · Zinc ion
  • SO4 · Sulfate ion

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