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Ligand · 682

682 · N~2~-(aminocarbonyl)-N~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide

682, N~2~-(aminocarbonyl)-N~1~-{4-{[amino(imino)methyl]amino}-1-[hydroxy(1,3-thiazol-2-yl)methyl]butyl}valinamide (C15 H27 N7 O3 S, 385.5 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site…

Component
682
Formula
C15 H27 N7 O3 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

682 in 2 structures; the first of them:

  • 2FDA · Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with… · 682 A1 · binds LEU39, HIS57, ALA97, ASP189, ALA190, CYS191, LYS192, GLY193 and 9 more
  • 2FDA · Crystal structure of the catalytic domain of human coagulation factor xia in complex with… · 682 A1 · binds LEU39, HIS57, ALA97, ASP189, ALA190, CYS191, LYS192, GLY193 and 9 more

Residues it binds most

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

Found with

  • BCT · Bicarbonate ion
  • SO4 · Sulfate ion

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