Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with fluorophore CY5,5 in space group P21.

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 17% strand (DSSP).

Ligands and binding sites

• R47 · N-[(2S)-3-[(S)-(4-bromophenyl)(hydroxy)phosphoryl]-2-{[3-(3'-chlorobiphenyl-4-yl)-1,2-oxazol-5-yl]methyl}propanoyl]-L-alpha-glutamyl-L-alpha-glutamine · ligand · 2 copies · chains A, B
• 6PJ · Cy5.5-PEG2 · ligand · 2 copies · chains A, B
• CA · Calcium ion · metal · 6 copies · chains A, B
• ZN · Zinc ion · metal · 4 copies · chains A, B
• BR · Bromide ion · ion · chains A
• EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
• GOL · Glycerol · additive · chains B
• DMS · Dimethyl sulfoxide · additive · chains B

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

Pockets

2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Interfaces

1 interface between chains.

• A–B · 192 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

• 5L7F · Crystal structure of MMP12 mutant K421A in complex with RXP470.1 conjugated with… · the same entry in another collection · chain A against A, TM-score 1.00

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 P39900
• Elsewhere: RCSB PDB 5L7F · PDBe 5L7F · UniProt P39900