5I12: Crystal structure of the catalytic domain of MMP-9 in complex with a selective sugar-conjugated arylsulfonamide carboxylate water-soluble inhibitor (DC27)

PDB ID: 5I12Download
MMDB ID: 141012
PDB Deposition Date: 2016/2/5
Updated in MMDB: 2016/08
Experimental Method:
x-ray diffraction
Resolution: 1.59  Å
Source Organism:
Similar Structures:
Biological Unit for 5I12: monomeric; determined by author and by software (PISA)
Molecular Components in 5I12
Label Count Molecule
Protein (1 molecule)
1
Matrix Metalloproteinase-9,matrix Metalloproteinase-9
(Gene symbol: MMP9)
Molecule annotation
Chemicals and Non-standard biopolymers (9 molecules)
1
2
ZINC IONZINC ION
2
3
CALCIUM IONCALCIUM ION
3
1
(2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid(2R)-2-[{(E)-2-[({(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-bis(acetyloxy)-6-[(acetyloxy)methyl]tetrahydro-2H-pyran-2-yl}carbamothioyl)amino]ethenyl}(biphenyl-4-ylsulfonyl)amino]-3-methylbutanoic acid
4
1
1,2-ETHANEDIOL1,2-ETHANEDIOL
5
1
DIMETHYL SULFOXIDEDIMETHYL SULFOXIDE
6
1
GLYCEROLGLYCEROL
* 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