Trypanosoma brucei procathepsin B solved from 40 fs free-electron laser pulse data by serial femtosecond X-ray crystallography

Summary for 4HWY

DescriptorCysteine peptidase C (CPC), beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... (4 entities in total)
Functional Keywordspapain fold, lysosomal cysteine protease, hydrolase
Biological sourceTrypanosoma brucei brucei TREU927 (Trypanosoma brucei brucei strain 927/4 GUTat10.1)
Total number of polymer chains1
Total molecular weight38270.63
Primary citation
Redecke, L.,Nass, K.,DePonte, D.P.,White, T.A.,Rehders, D.,Barty, A.,Stellato, F.,Liang, M.,Barends, T.R.,Boutet, S.,Williams, G.J.,Messerschmidt, M.,Seibert, M.M.,Aquila, A.,Arnlund, D.,Bajt, S.,Barth, T.,Bogan, M.J.,Caleman, C.,Chao, T.C.,Doak, R.B.,Fleckenstein, H.,Frank, M.,Fromme, R.,Galli, L.,Grotjohann, I.,Hunter, M.S.,Johansson, L.C.,Kassemeyer, S.,Katona, G.,Kirian, R.A.,Koopmann, R.,Kupitz, C.,Lomb, L.,Martin, A.V.,Mogk, S.,Neutze, R.,Shoeman, R.L.,Steinbrener, J.,Timneanu, N.,Wang, D.,Weierstall, U.,Zatsepin, N.A.,Spence, J.C.,Fromme, P.,Schlichting, I.,Duszenko, M.,Betzel, C.,Chapman, H.N.
Natively inhibited Trypanosoma brucei cathepsin B structure determined by using an X-ray laser.
Science, 339:227-230, 2013
PubMed: 23196907 (PDB entries with the same primary citation)
DOI: 10.1126/science.1229663
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.21020 3.6% 0.6%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
PDB entries from 2020-10-21