Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited with the N-carboxy-alkyl inhibitor L-764,004

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 17% strand (DSSP).

Ligands and binding sites

• L04 · 6-(4'-fluoro-biphenyl-4-yl)-4-(3-methyl-1-phenylcarbamoyl-butylcarbamoyl)-2-[4-(1-oxo-1,3-dihydro-isoindol-2-yl)-butyl]-hexanoic acid · ligand · chains A
• CA · Calcium ion · metal · 3 copies · chains A
• ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Compared structures

• 1HFS · Crystal structure of the catalytic domain of human fibroblast stromelysin-1 inhibited… · the same entry in another collection · chain A against A, TM-score 1.00
• P08254 · AlphaFold monomer V2.0 prediction for stromelysin-1 (P08254) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 P08254
• Elsewhere: RCSB PDB 1HFS · PDBe 1HFS · UniProt P08254