5tli
From Proteopedia
(New page: 200px<br /><applet load="5tli" size="450" color="white" frame="true" align="right" spinBox="true" caption="5tli, resolution 2.10Å" /> '''THERMOLYSIN (60% ISO...) |
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| - | [[Image:5tli.gif|left|200px]]<br /><applet load="5tli" size=" | + | [[Image:5tli.gif|left|200px]]<br /><applet load="5tli" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="5tli, resolution 2.10Å" /> | caption="5tli, resolution 2.10Å" /> | ||
'''THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS)'''<br /> | '''THERMOLYSIN (60% ISOPROPANOL SOAKED CRYSTALS)'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Multiple-solvent crystal structure determination (MSCS) allows the | + | 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== | ==About this Structure== | ||
| - | 5TLI is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus] with ZN, CA, DMS and IPA as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] Full crystallographic information is available from [http:// | + | 5TLI is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=CA:'>CA</scene>, <scene name='pdbligand=DMS:'>DMS</scene> and <scene name='pdbligand=IPA:'>IPA</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Thermolysin Thermolysin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.24.27 3.4.24.27] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5TLI OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Thermolysin]] | [[Category: Thermolysin]] | ||
| - | [[Category: Done, S | + | [[Category: Done, S H.]] |
| - | [[Category: English, A | + | [[Category: English, A C.]] |
| - | [[Category: Groom, C | + | [[Category: Groom, C R.]] |
| - | [[Category: Hubbard, R | + | [[Category: Hubbard, R E.]] |
[[Category: CA]] | [[Category: CA]] | ||
[[Category: DMS]] | [[Category: DMS]] | ||
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[[Category: organic solvent]] | [[Category: organic solvent]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:15:55 2008'' |
Revision as of 17:15, 21 February 2008
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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
5TLI is a Single protein structure of sequence from Bacillus thermoproteolyticus with , , and 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 Thu Feb 21 19:15:55 2008
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
