Ligand · XRG
XRG · 1-methyl-3-(N-methylcarbamimidoyl)urea
XRG, 1-methyl-3-(N-methylcarbamimidoyl)urea (C4 H10 N4 O, 130.2 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…
- Component
- XRG
- Formula
- C4 H10 N4 O
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
XRG in 4 structures; the first of them:
- 2XUC · Natural product-guided discovery of a fungal chitinase inhibitor · XRG A1338 · binds TYR34, ALA124, ASP172, GLU174, ALA205, GLN230, TYR232, ASN233 and 2 more
- 3CH9 · Crystal structure of Aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea · XRG A439 · binds TYR48, PHE76, TRP137, ASP175, GLU177, ALA217, MET243, TYR245 and 2 more
- 2XUC · Natural product-guided discovery of a fungal chitinase inhibitor · XRG A1338 · binds TYR34, ALA124, ASP172, GLU174, ALA205, GLN230, TYR232, ASN233 and 2 more
- 3CH9 · Crystal structure of aspergillus fumigatus chitinase B1 in complex with dimethylguanylurea · XRG A439 · binds TYR48, PHE76, TRP137, ASP175, GLU177, ALA217, MET243, TYR245 and 2 more
Residues it binds most
TYR 14, ALA 14, TRP 14, ASP 10, ASN 8, GLN 10, GLU 10, MET 10, PHE 8, GLY 4 (residue and the binding sites it lines).
Found with
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