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Ligand · XXB

XXB · 1-butyl-1H-pyrazole-5-carboxylic acid

XXB, 1-butyl-1H-pyrazole-5-carboxylic acid (C8 H12 N2 O2, 168.2 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 most and the ligands…

Component
XXB
Formula
C8 H12 N2 O2
Class
ligand
Structures
2
PDB entries
1

Binding sites

XXB in 2 structures; the first of them:

  • 3TOD · Crystal Structure of C-lobe of Bovine lactoferrin Complexed with… · XXB A777 · binds THR430, GLU431, GLY432, VAL591, ALA592, PRO593, ASN594, GLU659 and 3 more
  • 3TOD · Crystal structure of C-lobe of bovine lactoferrin complexed with 1… · XXB A777 · binds THR430, GLU431, GLY432, VAL591, ALA592, PRO593, ASN594, GLU659 and 3 more

Residues it binds most

GLU 2, GLY 2, ALA 2, ASN 2, LEU 2, PRO 2, THR 2, TYR 2, VAL 2 (residue and the binding sites it lines).

Found with

  • FE · Fe (III) ion
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • CO3 · Carbonate ion
  • SO4 · Sulfate ion
  • EOH · Ethanol
  • GOL · Glycerol

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