2bx3 | pdb_00002bx3

CRYSTAL STRUCTURE OF SARS CORONAVIRUS MAIN PROTEINASE (P43212)

spinqualitylabelsall models 2bx3, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 2bx3 is a 1 chain structure with sequence from Sars coronavirus sin2774. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Related: 1o5s, 1p4x, 1p76, 1p9s, 1p9t, 1p9u, 1pa5, 1puk, 1q1x, 1q2w, 1q4z, 1qz8, 1ssk, 1sxf, 1uj1, 1uk2, 1uk3, 1uk4, 1uw7, 1wnc, 1xak, 1xjp, 1xjr, 2bw6, 2bx4 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 The SARS coronavirus main proteinase (M(pro)) is a key enzyme in the processing of the viral polyproteins and thus an attractive target for the discovery of drugs directed against SARS. The enzyme has been shown by X-ray crystallography to undergo significant pH-dependent conformational changes. Here, we assess the conformational flexibility of the M(pro) by analysis of multiple crystal structures (including two new crystal forms) and by molecular dynamics (MD) calculations. The MD simulations take into account the different protonation states of two histidine residues in the substrate-binding site and explain the pH-activity profile of the enzyme. The low enzymatic activity of the M(pro) monomer and the need for dimerization are also discussed. pH-dependent conformational flexibility of the SARS-CoV main proteinase (M(pro)) dimer: molecular dynamics simulations and multiple X-ray structure analyses.,Tan J, Verschueren KH, Anand K, Shen J, Yang M, Xu Y, Rao Z, Bigalke J, Heisen B, Mesters JR, Chen K, Shen X, Jiang H, Hilgenfeld R J Mol Biol. 2005 Nov 18;354(1):25-40. Epub 2005 Sep 23. PMID:16242152 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also SARS Coronavirus Main Proteinase

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