Study Of Ribavirin Pilotscale Experiment And The Relation Of Protein Molecule

( School of life sciences, Wuhan University, Wuhan, China, 430072 )Between the interactions of proteins, the buried area is often limited in 12-20 nm2, involving 10-30 residues of amino acid. Interactions demand the contact surface patched, but the key residues are only 3-4 residues among them.We select GroE from E.coli with two ligands naming GroEL and GroES to analyze. Based upon the crystal structural data from PDB, The relation of structure and function of GroEL apical domain combined with GroES and target protein or not, is studied, as well as the influence of the structural changes of GroEL on the accessibility and the hydrophobicity of its central cavity. Put forward a new method to analyze the interaction propensity of proteins by introducing a parameter 0. Using this method, we analyze the three amino acids at the interaction surface of GroEL and GroES and acquire a good result. The nucleotide-binding pocket of GroEL equatorial domain is further analyzed using SwissPDBViewer. The result shows that the residue Thr30 located in the active center which binds to one phosphate group of ADP may be involved in the energy transferring.Plant Rubisco is a model-substrate in analyzing of molecular chaperones of GroE in common use. Whatever I or II type Rubisco, when fit together, needs molecular chaperones to assist. Through superposition on Rubiscocombined with different ligands, it is found that one loop in the C-domain leads to the difference between activated Rubisco and non-activated one and that the metal ion binding will result in large structural changes in active center. The positional relation and hydrogen-bond interaction between the residues in active site and this loop region of Rubisco combined with different ligands are simulated through SwissPDBviewer, the results show that three Lys residues are interrelated to the activity of Rubisco. The structural changes in these residues will give instruction to molecular design.We also take the study of Ribavirin pilotscale experiment.