3HHA

Crystal structure of cathepsin L in complex with AZ12878478

Summary for 3HHA

DescriptorCathepsin L1, Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide, TETRAETHYLENE GLYCOL, ... (7 entities in total)
Functional Keywordsproteros biostructures gmbh, cathepsin l, inhibitors, disulfide bond, glycoprotein, hydrolase, lysosome, protease, thiol protease, zymogen
Biological sourceHomo sapiens (human)
Cellular locationLysosome P07711
Total number of polymer chains4
Total molecular weight98676.19
Authors
Primary citation
Asaad, N.,Bethel, P.A.,Coulson, M.D.,Dawson, J.E.,Ford, S.J.,Gerhardt, S.,Grist, M.,Hamlin, G.A.,James, M.J.,Jones, E.V.,Karoutchi, G.I.,Kenny, P.W.,Morley, A.D.,Oldham, K.,Rankine, N.,Ryan, D.,Wells, S.L.,Wood, L.,Augustin, M.,Krapp, S.,Simader, H.,Steinbacher, S.
Dipeptidyl nitrile inhibitors of Cathepsin L.
Bioorg.Med.Chem.Lett., 19:4280-4283, 2009
PubMed: 19515558 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2009.05.071
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (1.27 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.15450.1%1.7%2.0%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution