title: [The volume and structure of the chymotrypsin active site].
abstract: It was found that the chymotrypsin active site is located in the largest cleft on the enzyme surface approximated by a sphere with a radius of 20 angstroms. The active site cleft volume is about 2 nm3, as computed by the Monte-Carlo method. The size and shape of the active site cleft-- the intersection of two unequal spheres--are sufficient for large (about 1 nm3) fragments of substrate molecules to enter the active site. The active site bottom and the adjacent narrow section are about 600 angstroms3 in volume and may serve as a combustion chamber of a water-substrate mixture during the operation of the enzyme machinery. Intrinsic water molecules inside the combustion chamber can take part in heat exchange during different steps of the enzymatic process.
authors.forename: P V
authors.initials: PV
authors.lastname: Kostetskiĭ
mesh_terms: D000818:Animals; D001665:Binding Sites; D002918:Chymotrypsin / Q000737:chemistry*; D008958:Models, Molecular; D017434:Protein Structure, Tertiary; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water; D002918:Chymotrypsin