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Organic Chemistry
Organic Chemistry
8th Edition
ISBN:9781305580350
Author:William H. Brown, Brent L. Iverson, Eric Anslyn, Christopher S. Foote
Publisher:William H. Brown, Brent L. Iverson, Eric Anslyn, Christopher S. Foote
Chapter20: Dienes, Conjugated Systems, And Pericyclic Reactions
Section: Chapter Questions
Problem 20.48P
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1. Arrange the steps involved in molecular docking into a proper sequence. A least squares fit of ligand atoms to the sphere centers is applied to ensure proper orientation. В. A. C. Ligand atoms are matched to sphere centers. The interaction energy is computed as a "Z-score" for binding mode. The best-scoring orientations are retained for subsequent analysis. A “negative" image of the binding site is made. D. Е. F. New orientations obtained by matching different sets of atoms and sphere centers. G. Orientation is checked for steric clashing between ligand and receptor. a. A, B, C, E, F, G, D b. B, A, E, G, C, D, F d. E, B, A, G, C, F, D e. G, E, A, B, F, D, C 2. Carbonic anhydrase has two substrates, carbon dioxide and bicarbonate, which are both converted to carbonic acid. Kinetic data for each is given below. Typical values for Kcat/Km range from less than 1 mM-'sec-l to as high as 2.8x10$ mM-'sec-'. What can be said about the Kcat/Km for CO2? Substrate CO2 HCO3 Kca/Km (m M-'sec-) 8.3x104 1.5x104 Km (mM) Keat (sec-!) 12 1x106 26 4x105 binds CO2 well but poorly converts it to carbonic acid
Transcribed Image Text:1. Arrange the steps involved in molecular docking into a proper sequence. A least squares fit of ligand atoms to the sphere centers is applied to ensure proper orientation. В. A. C. Ligand atoms are matched to sphere centers. The interaction energy is computed as a "Z-score" for binding mode. The best-scoring orientations are retained for subsequent analysis. A “negative" image of the binding site is made. D. Е. F. New orientations obtained by matching different sets of atoms and sphere centers. G. Orientation is checked for steric clashing between ligand and receptor. a. A, B, C, E, F, G, D b. B, A, E, G, C, D, F d. E, B, A, G, C, F, D e. G, E, A, B, F, D, C 2. Carbonic anhydrase has two substrates, carbon dioxide and bicarbonate, which are both converted to carbonic acid. Kinetic data for each is given below. Typical values for Kcat/Km range from less than 1 mM-'sec-l to as high as 2.8x10$ mM-'sec-'. What can be said about the Kcat/Km for CO2? Substrate CO2 HCO3 Kca/Km (m M-'sec-) 8.3x104 1.5x104 Km (mM) Keat (sec-!) 12 1x106 26 4x105 binds CO2 well but poorly converts it to carbonic acid
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