1BGO

CRYSTAL STRUCTURE OF CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT PEPTIDOMIMETIC INHIBITOR

Summary for 1BGO

DescriptorCATHEPSIN K, 1-[2-(3-BIPHENYL)-4-METHYLVALERYL)]AMINO-3-(2-PYRIDYLSULFONYL)AMINO-2-PROPANONE (3 entities in total)
Functional Keywordshydrolase, sulfhydryl proteinase, thiol protease
Biological sourceHomo sapiens (human)
Cellular locationLysosome P43235
Total number of polymer chains1
Total molecular weight24005.09
Authors
Primary citation
Desjarlais, R.L.,Yamashita, D.S.,Oh, H.J.,Uzinskas, I.N.,Erhard, K.F.,Allen, A.C.,Haltiwanger, R.C.,Zhao, B.G.,Smith, W.W.,Abdel-Meguid, S.S.,Dalessio, K.,Janson, C.A.,Mcqueney, M.S.,Tomaszek, T.A.,Levy, M.A.,Veber, D.F.
Use of X-Ray Co-Crystal Structures and Molecular Modeling to Design Potent and Selective Non-Peptide Inhibitors of Cathepsin K
J.Am.Chem.Soc., 120:9114-, 1998
Experimental method
X-RAY DIFFRACTION (2.3 Å)
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Structure validation

ClashscoreRamachandran outliersSidechain outliers110.5%8.1%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution