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Ligand · 3W1

3W1 · 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine

3W1, 1-{4-[(4-chloro-1H-pyrazol-1-yl)methyl]phenyl}methanamine (C11 H12 Cl N3, 221.7 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
3W1
Formula
C11 H12 Cl N3
Class
ligand
Structures
2
PDB entries
1

Binding sites

3W1 in 2 structures; the first of them:

  • 4WYG · Crystal structure of 7,8-diaminopelargonic acid synthase (BioA) from Mycobacterium… · 3W1 A503 · binds TYR25, TRP64, TRP65, TYR157, ASP160, MET174, ALA226, LYS283 and 7 more
  • 4WYG · Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium… · 3W1 A503 · binds TYR25, TRP64, TRP65, TYR157, ASP160, MET174, ALA226, LYS283 and 7 more

Residues it binds most

TYR 4, ASP 6, TRP 4, MET 4, PHE 6, ALA 4, ARG 4, GLY 4, HIS 2, LYS 4 (residue and the binding sites it lines).

Found with

  • PLP · Pyridoxal-5'-phosphate
  • EDO · 1,2-ethanediol
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid

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