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Ligand · PB4

PB4 · N,N'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide

PB4, N,N'-bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide (C22 H20 F2 N4 O2, 410.4 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…

Component
PB4
Formula
C22 H20 F2 N4 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

PB4 in 2 structures; the first of them:

  • 1XUD · Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor · PB4 A2001 · binds LYS140, LEU185, ASN215, PHE217, LEU218, VAL219, HIS222, GLU223 and 16 more
  • 1XUD · Matrix metalloproteinase-13 complexed with non-zinc binding inhibitor · PB4 A2001 · binds LYS140, LEU185, ASN215, PHE217, LEU218, VAL219, HIS222, GLU223 and 16 more

Residues it binds most

LEU 4, PHE 4, GLY 4, HIS 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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