1fju

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[[Image:1fju.jpg|left|200px]]
[[Image:1fju.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1fju |SIZE=350|CAPTION= <scene name='initialview01'>1fju</scene>, resolution 2.0&Aring;
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The line below this paragraph, containing "STRUCTURE_1fju", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=CCN:ACETONITRILE'>CCN</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[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] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1fju| PDB=1fju | SCENE= }}
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|RELATEDENTRY=[[1tli|1tli]], [[2tli|2Tli]], [[3tli|3tli]], [[4tli|4tli]], [[5tli|5tli]], [[6tli|6tli]], [[7tli|7tli]], [[8tli|8TLI]], [[1fjo|1FJO]], [[1fjq|1FJQ]], [[1fj3|1FJ3]], [[1fjt|1FJT]], [[1fjv|1FJV]], [[1fjw|1FJW]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fju FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fju OCA], [http://www.ebi.ac.uk/pdbsum/1fju PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1fju RCSB]</span>
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}}
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'''THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS)'''
'''THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS)'''
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[[Category: Groom, C R.]]
[[Category: Groom, C R.]]
[[Category: Hubbard, R E.]]
[[Category: Hubbard, R E.]]
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[[Category: metalloproteinase]]
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[[Category: Metalloproteinase]]
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[[Category: organic solvent]]
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[[Category: Organic solvent]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 16:24:45 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:24:22 2008''
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Revision as of 13:24, 2 May 2008

Image:1fju.jpg

Template:STRUCTURE 1fju

THERMOLYSIN (80% ACETONITRILE SOAKED CRYSTALS)


Overview

Multiple Solvent Crystal Structures (MSCS) is a crystallographic technique to identify energetically favorable positions and orientations of small organic molecules on the surface of proteins. We determined the high-resolution crystal structures of thermolysin (TLN), generated from crystals soaked in 50--70% acetone, 50--80% acetonitrile and 50 mM phenol. The structures of the protein in the aqueous-organic mixtures are essentially the same as the native enzyme and a number of solvent interaction sites were identified. The distribution of probe molecules shows clusters in the main specificity pocket of the active site and a buried subsite. Within the active site, we compared the experimentally determined solvent positions with predictions from two computational functional group mapping techniques, GRID and Multiple Copy Simultaneous Search (MCSS). The experimentally determined small molecule positions are consistent with the structures of known protein--ligand complexes of TLN.

About this Structure

1FJU is a Single protein structure of sequence from Bacillus thermoproteolyticus. Full crystallographic information is available from OCA.

Reference

Experimental and computational mapping of the binding surface of a crystalline protein., English AC, Groom CR, Hubbard RE, Protein Eng. 2001 Jan;14(1):47-59. PMID:11287678 Page seeded by OCA on Fri May 2 16:24:45 2008

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OCA

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