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Ligand · 57I

57I · methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside

57I, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside (C22 H23 N O10, 461.4 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
57I
Formula
C22 H23 N O10
Class
ligand
Structures
2
PDB entries
1

Binding sites

57I in 2 structures; the first of them:

  • 7RGX · Crystal structure of human galectin-3 CRD in complex with Methyl… · 57I A302 · binds ARG144, HIS158, ASN160, ARG162, GLU165, VAL172, ASN174, TRP181 and 1 more
  • 7RGX · Crystal structure of human galectin-3 crd in complex with methyl 2-O… · 57I A302 · binds ARG144, HIS158, ASN160, ARG162, ASN174, TRP181, GLU184

Residues it binds most

ARG 2, ASN 2, GLU 2, HIS 2, TRP 2, VAL 1 (residue and the binding sites it lines).

Found with

  • CL · Chloride ion

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