5I43: Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated triazole-linked carboxylate chelator water-soluble inhibitor (DC32)

PDB ID: 5I43Download
MMDB ID: 141018
PDB Deposition Date: 2016/2/11
Updated in MMDB: 2016/08
Experimental Method:
x-ray diffraction
Resolution: 1.95  Å
Source Organism:
Similar Structures:
Biological Unit for 5I43: monomeric; determined by author
Molecular Components in 5I43
Label Count Molecule
Protein (1 molecule)
1
Macrophage Metalloelastase
(Gene symbol: MMP12)
Molecule annotation
Chemicals and Non-standard biopolymers (17 molecules)
1
2
ZINC IONZINC ION
2
3
CALCIUM IONCALCIUM ION
3
1
(2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)(2R)-2-[({1-[3-({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}oxy)propyl]-1H-1,2,3-triazol-4-yl}methyl)(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid (non-preferred name)
4
10
1,2-ETHANEDIOL1,2-ETHANEDIOL
5
1
S-1,2-PROPANEDIOLS-1,2-PROPANEDIOL
* Click molecule labels to explore molecular sequence information.
Citing MMDB
Madej T, Lanczycki CJ, Zhang D, Thiessen PA, Geer RC, Marchler-Bauer A, Bryant SH. " MMDB and VAST+: tracking structural similarities between macromolecular complexes. Nucleic Acids Res. 2014 Jan; 42(Database issue):D297-303