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Ligand · B3B

B3B · 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde

B3B, 2-{(E)-[2-(4-phenyl-1,3-thiazol-2-yl)hydrazinylidene]methyl}benzaldehyde (C17 H13 N3 O S, 307.4 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…

Component
B3B
Formula
C17 H13 N3 O S
Class
ligand
Structures
2
PDB entries
1

Binding sites

B3B in 2 structures; the first of them:

  • 4LS0 · Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH01B0033 · B3B A413 · binds TYR38, MET43, GLN47, PRO52, ALA55, HIS56, ALA59, PHE62 and 10 more
  • 4LS0 · Crystal structure of human dihydroorotate dehydrogenase (dhodh) with DH01B0033 · B3B A413 · binds TYR38, MET43, GLN47, PRO52, ALA55, HIS56, ALA59, PHE62 and 10 more

Residues it binds most

LEU 2, ALA 2, PHE 2, PRO 2, THR 2, TYR 2, ARG 2, GLN 2, HIS 2, MET 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion

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