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Ligand · 412

412 · (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine

412, (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine (C12 H18 B N3 O3, 263.1 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
412
Formula
C12 H18 B N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

412 in 2 structures; the first of them:

  • 1ZML · Crystal Structure of the Catalytic Domain of Factor XI in complex with… · 412 A1001 · binds LEU39, CYS40, HIS57, CYS58, ASP189, ALA190, CYS191, LYS192 and 10 more
  • 1ZML · Crystal structure of the catalytic domain of factor XI in complex with… · 412 A1001 · binds LEU39, CYS40, HIS57, CYS58, ASP189, ALA190, CYS191, LYS192 and 10 more

Residues it binds most

CYS 2, GLY 2, ALA 2, ASP 2, GLU 2, HIS 2, LEU 2, LYS 2, SER 2, TRP 2 (residue and the binding sites it lines).

Found with

  • BCT · Bicarbonate ion
  • SO4 · Sulfate ion

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