Extended Data Fig. 5: Crystal structures of NNPI-C10 in complex with CTSS.
From: Antibody–peptide conjugates deliver covalent inhibitors blocking oncogenic cathepsins
a, b) Superposed crystal structures of CTSS WT (grey) and CTSS Y132D (blue). Backbone structure of NNPI-C10 represented in purple. Active cysteine represented in yellow, aspartate 132 in red, histidine and asparagine from the catalytic triad in orange. c) Proximity of histidine in position 2 of NNPI-C10 and phenylalanine 184 of CTSS (highlighted in light blue). d) Position of tryptophan at the C-terminus of NNPI-C10 and phenylalanine 260 and tryptophan 300 of CTSS (highlighted in light blue). Histidine 278 of CTSS is also highlighted in red. e) Summary of hydrogen bonds identified between NNPI-C10 and CTSS Y132D.
