Crystal structure of MATRIPTASE1 in complex with a peptidomimetic benzothiazole

Structure

x-ray diffraction · 1 distinct chain · 10% helix, 35% strand (DSSP).

Ligands and binding sites

• GSH · Glutathione · ligand · chains A
• KD7 · N-(3-phenylpropanoyl)-3-(1,3-thiazol-4-yl)-L-alanyl-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-5-carbamimidamido-1-hydroxypentan-2-yl]-L-valinamide · ligand · chains A
• MG · Magnesium ion · metal · chains A
• EOH · Ethanol · additive · chains A
• 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 3 disulfide, 2 covalent (disulfide, covalent ligand).

Compared structures

• 6N4T · Crystal structure of Matriptase1 in complex with a peptidomimetic benzothiazole · the same entry in another collection · chain A against A, TM-score 1.00
• Q9Y5Y6 · AlphaFold monomer V2.0 prediction for suppressor of tumorigenicity 14 protein (Q9Y5Y6) · a predicted model of the same protein · chain A against A, TM-score 0.99

Analyse

• Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
• Every structure of UniProt Q9Y5Y6
• Elsewhere: RCSB PDB 6N4T · PDBe 6N4T · UniProt Q9Y5Y6