6tli
From Proteopedia
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THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS)
Overview
Multiple-solvent crystal structure determination (MSCS) allows the, position and orientation of bound solvent fragments to be identified by, determining the structure of protein crystals soaked in organic solvents., We have extended this technique by the determination of high-resolution, crystal structures of thermolysin (TLN), generated from crystals soaked in, 2% to 100% isopropanol. The procedure causes only minor changes to the, conformation of the protein, and an increasing number of isopropanol, interaction sites could be identified as the solvent concentration is, increased. Isopropanol occupies all four of the main subsites in the, active site, although this was only observed at very high concentrations, of isopropanol for three of the four subsites. Analysis of the isopropanol, positions shows little correlation with interaction energy computed using, a molecular mechanics force field, but the experimentally determined, positions of isopropanol are consistent with the structures of known, protein-ligand complexes of TLN.
About this Structure
6TLI is a Single protein structure of sequence from Bacillus thermoproteolyticus with ZN, CA, DMS and IPA as ligands. Active as Thermolysin, with EC number 3.4.24.27 Full crystallographic information is available from OCA.
Reference
Locating interaction sites on proteins: the crystal structure of thermolysin soaked in 2% to 100% isopropanol., English AC, Done SH, Caves LS, Groom CR, Hubbard RE, Proteins. 1999 Dec 1;37(4):628-40. PMID:10651278
Page seeded by OCA on Tue Nov 20 15:18:37 2007
Categories: Bacillus thermoproteolyticus | Single protein | Thermolysin | Done, S.H. | English, A.C. | Groom, C.R. | Hubbard, R.E. | CA | DMS | IPA | ZN | Hydrolase | Metalloproteinase | Organic solvent
