5I3M: Crystal structure of the catalytic domain of MMP-12 in complex with a selective sugar-conjugated thiourea-linked carboxylate zinc-chelator water-soluble inhibitor (DC31)

PDB ID: 5I3MDownload
MMDB ID: 141014
PDB Deposition Date: 2016/2/10
Updated in MMDB: 2016/08
Experimental Method:
x-ray diffraction
Resolution: 2.17  Å
Source Organism:
Similar Structures:
Biological Unit for 5I3M: monomeric; determined by author
Molecular Components in 5I3M
Label Count Molecule
Protein (1 molecule)
1
Macrophage Metalloelastase
(Gene symbol: MMP12)
Molecule annotation
Chemicals and Non-standard biopolymers (8 molecules)
1
1
(2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)(2S)-2-{[2-({[(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]carbamothioyl}amino)ethyl](biphenyl-4-ylsulfonyl)amino}-3-methylbutanoic acid (non-preferred name)
2
2
ZINC IONZINC ION
3
3
CALCIUM IONCALCIUM ION
4
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
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