6F06

CATHEPSIN L IN COMPLEX WITH (3S,14E)-8-(azetidin-3-yl)-19-chloro-N-(1-cyanocyclopropyl)-5-oxo-12,17-dioxa-4-azatricyclo[16.2.2.06,11]docosa-1(21),6,8,10,14,18(22),19-heptaene-3-carboxamide

Summary for 6F06

Related6EZP 6EZX
DescriptorCathepsin L1, (3~{S},14~{E})-8-(azetidin-3-yl)-19-chloranyl-~{N}-(1-cyanocyclopropyl)-5-oxidanylidene-12,17-dioxa-4-azatricyclo[16.2.2.0^{6,11}]docosa-1(21),6(11),7,9,14,18(22),19-heptaene-3-carboxamide, ZINC ION, ... (5 entities in total)
Functional Keywordsprotease inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase
Biological sourceHomo sapiens (Human)
Cellular locationLysosome P07711
Total number of polymer chains2
Total molecular weight50384
Authors
Kuglstatter, A.,Stihle, M. (deposition date: 2017-11-17, release date: 2018-04-11, Last modification date: 2018-05-09)
Primary citation
Giroud, M.,Dietzel, U.,Anselm, L.,Banner, D.,Kuglstatter, A.,Benz, J.,Blanc, J.B.,Gaufreteau, D.,Liu, H.,Lin, X.,Stich, A.,Kuhn, B.,Schuler, F.,Kaiser, M.,Brun, R.,Schirmeister, T.,Kisker, C.,Diederich, F.,Haap, W.
Repurposing a Library of Human Cathepsin L Ligands: Identification of Macrocyclic Lactams as Potent Rhodesain and Trypanosoma brucei Inhibitors.
J. Med. Chem., 61:3350-3369, 2018
PubMed: 29590750 (PDB entries with the same primary citation)
DOI: 10.1021/acs.jmedchem.7b01869
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.02 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.275606.2%0.7%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
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168889
PDB entries from 2020-09-16