4abi

Co-complex structure of bovine trypsin with a modified Bowman-Birk inhibitor (PtA)SFTI-1(1,14), that was 1,4-disubstituted with a 1,2,3- trizol to mimic a trans amide bond

spinqualitylabelsall models 4abi, resolution 1.55Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4abi is a 2 chain structure with sequence from Bos taurus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: CA, DMF, GOL, SO4 NonStd Res: PLF Related: 5ptp, 1o2s, 1o2t, 1bjv, 1c2d, 1c2e, 1mts, 1tps, 1tng, 1o2m, 1c1p, 1jrt, 2btc, 1c1t, 1tnk, 1o2x, 1d6r, 1o38, 1c2h, 1utp, 1f2s, 1gi1, 1tio, 1v2k, 1tpo, 2blw, 1v2o, 2fx6, 1c1n, 1y3u, 1y3x, 1c5p, 1o2i, 1c2j, 1n6x, 1c5u, 1o3m, 1k1o, 1v2v, 1y5u, 1ghz, 2fi3, 1qb1, 2ptc, 1k1l, 2tgd, 1y5b, 1c5t, 1p2j, 1smf, 1btp, 1ppe, 2ayw, 1btx, 2by8, 1gi6, 1cu8, 1ntp, 1c5q, 1qb9, 1g3e, 1o35, 3btk, 1ejm, 3ptn, 1uto, 1o3h, 2fi4, 1y3y, 1o3i, 1o2k, 1ppc, 1o3d, 1o2y, 1j8a, 1c1q, 1o2l, 1y59, 2tgt, 3btm, 1v2s, 1xui, 1o2o, 1ql8, 3btf, 1s0q, 1bju, 1o2w, 1qb6, 1o39, 1gi5, 1tab, 1gi2, 1g3d, 1cu7, 1tpa, 1o2h, 2ftl, 1v2r, 1mtv, 1o3l, 1o2r, 1tx8, 1v2j, 3bth, 1c2i, 1o3c, 1o3k, 1ezx, 1k1m, 1ce5, 1utn, 2by7, 1o32, 1k1i, 1max, 1yp9, 1tgc, 1oph, 3bte, 1v2n, 3tpi, 1eb2, 2tio, 2tld, 1bty, 2ptn, 2fi5, 2tga, 1c2l, 1v2t, 1o2v, 1o36, 2cmy, 1f0u, 1tgt, 2by6, 1o33, 1c2f, 3btq, 1az8, 1tgb, 1qcp, 1o3e, 3btt, 1o3o, 1p2i, 1tx7, 1c2m, 1o30, 1y5a, 1aq7, 1o2z, 1s0r, 1sbw, 1qbo, 1oyq, 1btw, 1xuj, 1utq, 1v2q, 1mtu, 1tgn, 1k1p, 1k1j, 1gi3, 1tpp, 1o3a, 1o2q, 1hj9, 1g9i, 1c9t, 1gi4, 2ftm, 1ox1, 2xtt, 1v2w, 2blv, 1ql7, 1g3b, 1tld, 1mtw, 1qa0, 1lqe, 1o3f, 1tnh, 1xug, 1o3b, 1o3j, 1rxp, 1c1r, 1tni, 1btz, 1y3v, 3btw, 1v2m, 1nc6, 1o2u, 1yyy, 1c2g, 3btd, 1c1s, 1taw, 1zzz, 2tgp, 1jrs, 1tnl, 2fx4, 1c1o, 1f0t, 1n6y, 1zr0, 1k1n, 1jir, 1v2u, 1may, 2by5, 2ah4, 1gi0, 1xuk, 2uuy, 1tyn, 1tgs, 1o31, 1v2p, 2a7h, 1o37, 2tpi, 1qbn, 2bya, 1v2l, 1o2j, 4tpi, 1sfi, 1p2k, 1o34, 2bza, 1xuh, 1g36, 1c5v, 1g3c, 1gbt, 3btg, 1pph, 1cu9, 3ptb, 1o3n, 1o3g, 1c5s, 1xuf, 1c5r, 1tnj, 2by9, 1o2n, 1c2k, 1gj6, 1y3w, 1auj, 1o2p, 2j9n, 4abj Activity: Trypsin, with EC number 3.4.21.4 Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function [SFTI1_HELAN] Inhibits trypsin, cathepsin G, elastase, chymotrypsin and thrombin. Does not inhibit factor Xa. Publication Abstract from PubMed Flower power: Potent protease inhibitors containing triazolyl mimics of cis and trans backbone amides were engineered based on the structure of the sunflower trypsin inhibitor 1. The biologically relevant cis-Pro motif was successfully replaced with a non-prolyl unit. High-resolution crystal structures of 1,4- and 1,5-disubstituted 1,2,3-triazolyl peptidomimetics can serve in the design of tailor-made Bowman-Birk inhibitors. Braces for the Peptide backbone: insights into structure-activity relationships of protease inhibitor mimics with locked amide conformations.,Tischler M, Nasu D, Empting M, Schmelz S, Heinz DW, Rottmann P, Kolmar H, Buntkowsky G, Tietze D, Avrutina O Angew Chem Int Ed Engl. 2012 Apr 10;51(15):3708-12. doi: 10.1002/anie.201108983. , Epub 2012 Feb 28. PMID:22374650 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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