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Crowded Channels and Active Sites

Crowded Channels and Active Sites. Active Sites of Proteins are Very Charged 7 charges ~ 20 M net charge. = 1.2×10 22 cm -3. liquid Water is 55 M solid NaCl is 37 M. +. +. +. +. +. -. -. -. -. Selectivity Filters and Gates of Ion Channels are Active Sites.

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Crowded Channels and Active Sites

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  1. Crowded Channels and Active Sites

  2. Active Sites of Proteins are Very Charged 7 charges ~ 20M net charge = 1.2×1022 cm-3 liquidWater is 55 Msolid NaCl is 37 M + + + + + - - - - Selectivity Filters and Gates of Ion Channels are Active Sites Physical basis of function OmpF Porin Hard Spheres Na+ Ions are Crowded K+ Ca2+ Na+ Induced Fit of Side Chains K+ 4 Å Figure adapted from Tilman Schirmer

  3. Crowded Active Sitesin 573 Enzymes Jimenez-Morales,Liang, Eisenberg

  4. Example: UDP-N-ACETYLGLUCOSAMINE ENOLPYRUVYL TRANSFERASE (PDB:1UAE) Functional Pocket Molecular Surface Volume: 1462.40 A3 Density : 19.3 Molar (11.3 M+. 8 M-) EC2: TRANSFERASESAverage Ionizable Density: 19.8 Molar Crowded Green: Functional pocket residues Blue: Basic = Probably Positive = R+K+H Red: Acid = Probably Negative = E + Q Brown URIDINE-DIPHOSPHATE-N- ACETYLGLUCOSAMINE Jimenez-Morales, Liang, Eisenberg

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