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Ligand · XMU

XMU · 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid

XMU, 7-[(1~{S})-1-[[4-(aminomethyl)phenyl]carbonylamino]ethyl]-3-[6-(morpholin-4-ylmethyl)pyridin-3-yl]-1~{H}-indole-2-carboxylic acid (C29 H31 N5 O4, 513.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries).…

Component
XMU
Formula
C29 H31 N5 O4
Class
ligand
Structures
2
PDB entries
2

Binding sites

XMU in 2 structures; the first of them:

  • 8PAD · Crystal structure of the metallo-beta-lactamase VIM1 with 2555 · XMU A303 · binds PHE62, TYR67, TRP87, HIS116, ASP117, ASP118, GLU146, HIS179 and 8 more
  • 8PGF · Crystal structure of the metallo-beta-lactamase VIM1 with 2941 · XMU A303 · binds PHE62, TYR67, TRP87, HIS116, ASP117, ASP118, GLU146, HIS179 and 8 more

Residues it binds most

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

Found with

  • ZN · Zinc ion

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