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Ligand · 1XF

1XF · 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid

1XF, 2-{[(carbamoylsulfanyl)acetyl]amino}benzoic acid (C10 H10 N2 O4 S, 254.3 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most…

Component
1XF
Formula
C10 H10 N2 O4 S
Class
ligand
Structures
3
PDB entries
2

Binding sites

1XF in 3 structures; the first of them:

  • 5J94 · Human cathepsin K mutant C25S in complex with the allosteric effector NSC13345 · 1XF A301 · binds GLU-2, GLY-1, ARG0, ALA1, ASP3, LYS119, LYS122, ARG123 and 3 more
  • 6ASH · Crystal structure of human Cathepsin K with a non-active site inhibitor at 1.42 Angstrom… · 1XF A301 · binds ASN18, GLN19, GLY20, GLN143, TRP184, TRP188
  • 6ASH · Crystal structure of human cathepsin K with a non-active site inhibitor at 1.42 ångström… · 1XF A301 · binds ASN18, GLY20, GLN143, TRP184, TRP188

Residues it binds most

ARG 3, ASN 6, LYS 4, ALA 3, CYS 2, TRP 2, GLN 2, GLY 3, VAL 3, GLU 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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