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).

Summary for 5I3M

• Entry DOI: 10.2210/pdb5i3m/pdb
• Related: 5I12 5I2Z 5IOL
• Descriptor: Macrophage metalloelastase, (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), ZINC ION, ... (9 entities in total)
• Functional Keywords: inhibitor, complex, glycoconjugate, metalloprotease, hydrolase
• Biological source: Homo sapiens (Human); More
• Cellular location: Secreted, extracellular space, extracellular matrix : P39900
• Total number of polymer chains: 4
• Total formula weight: 74652.79

Authors

Stura, E.A.,Rosalia, L.,Cuffaro, D.,Tepshi, L.,Ciccone, L.,Rossello, A. (deposition date: 2016-02-10, release date: 2016-07-06, Last modification date: 2024-01-10)

• Primary citation: Nuti, E.,Cuffaro, D.,D'Andrea, F.,Rosalia, L.,Tepshi, L.,Fabbi, M.,Carbotti, G.,Ferrini, S.,Santamaria, S.,Camodeca, C.,Ciccone, L.,Orlandini, E.,Nencetti, S.,Stura, E.A.,Dive, V.,Rossello, A.; Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.; Chemmedchem, 11:1626-1637, 2016; PubMed: 27356908; DOI: 10.1002/cmdc.201600235

Experimental method

X-RAY DIFFRACTION (2.17 Å)