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Ligand · PB5

PB5 · N,N'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide

PB5, N,N'-bis(pyridin-3-ylmethyl)pyrimidine-4,6-dicarboxamide (C18 H16 N6 O2, 348.4 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 residues it binds…

Component
PB5
Formula
C18 H16 N6 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

PB5 in 2 structures; the first of them:

  • 1XUR · Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor · PB5 A2001 · binds LYS140, ASN215, PHE217, LEU218, VAL219, HIS222, GLY237, ALA238 and 14 more
  • 1XUR · Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor · PB5 A2001 · binds LYS140, ASN215, PHE217, LEU218, VAL219, HIS222, GLY237, ALA238 and 14 more

Residues it binds most

PHE 4, GLY 4, HIS 4, LEU 4, LYS 4, PRO 4, THR 4, TYR 4, ALA 4, ASN 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • ZN · Zinc ion

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