3bc3 | pdb_00003bc3

Exploring inhibitor binding at the S subsites of cathepsin L

spinqualitylabelsall models 3bc3, resolution 2.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3bc3 is a 2 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: OPT NonStd Res: CSW Related: 1mhw Gene: CTSL (Homo sapiens) Activity: Cathepsin L, with EC number 3.4.22.15 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed We report a series of noncovalent, reversible inhibitors of cathepsin L that have been designed to explore additional binding interactions with the S' subsites. The design was based on our previously reported crystal structure that suggested the possibility of engineering increased interactions with the S' subsites ( Chowdhury et al. J. Med. Chem. 2002, 45, 5321-5329 ). A representative of these new inhibitors has been co-crystallized with mature cathepsin L, and the structure has been solved and refined at 2.2 A. The inhibitors described in this work extend farther into the S' subsites of cathepsins than any inhibitors reported in the literature thus far. These interactions appear to make use of a S3' subsite that can potentially be exploited for enhanced specificity and/or affinity. Exploring inhibitor binding at the s' subsites of cathepsin L.,Chowdhury SF, Joseph L, Kumar S, Tulsidas SR, Bhat S, Ziomek E, Menard R, Sivaraman J, Purisima EO J Med Chem. 2008 Mar 13;51(5):1361-8. Epub 2008 Feb 16. PMID:18278855 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Cathepsin

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