Crystal structure analysis of the MMP13 catalytic domain in complex with specific inhibitor

Summary for 2OW9

DescriptorCollagenase 3, ZINC ION, CALCIUM ION, ... (7 entities in total)
Functional Keywordscomplex crystal structure, martix metalloproteinase, mmp13, specific mmp13 inhibitor, s1' mmp13 inhibitor, hydrolase
Biological sourceHomo sapiens (human)
Cellular locationSecreted, extracellular space, extracellular matrix  P45452
Total number of polymer chains2
Total molecular weight39711.86
Pavlovsky, A.G. (deposition date: 2007-02-15, release date: 2007-02-27, Last modification date: 2017-10-18)
Primary citation
Johnson, A.R.,Pavlovsky, A.G.,Ortwine, D.F.,Prior, F.,Man, C.F.,Bornemeier, D.A.,Banotai, C.A.,Mueller, W.T.,McConnell, P.,Yan, C.,Baragi, V.,Lesch, C.,Roark, W.H.,Wilson, M.,Datta, K.,Guzman, R.,Han, H.K.,Dyer, R.D.
Discovery and characterization of a novel inhibitor of matrix metalloprotease-13 that reduces cartilage damage in vivo without joint fibroplasia side effects.
J.Biol.Chem., 282:27781-27791, 2007
PubMed: 17623656 (PDB entries with the same primary citation)
DOI: 10.1074/jbc.M703286200
MImport into Mendeley
Experimental method
NMR Information

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.190102.1%6.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 2ow9
no rotation
Molmil generated image of 2ow9
rotated about x axis by 90°
Molmil generated image of 2ow9
rotated about y axis by 90°