1fjo: Difference between revisions

Revision as of 16:24, 2 May 2008

THERMOLYSIN (60% ACETONE SOAKED CRYSTALS)

OverviewOverview

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 StructureAbout this Structure

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

ReferenceReference

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 16:24:28 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:1fjo.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 1fjo |SIZE=350|CAPTION= <scene name='initialview01'>1fjo</scene>, resolution 2.0&Aring;
+The line below this paragraph, containing "STRUCTURE_1fjo", creates the "Structure Box" on the page.
-|SITE=
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=ACN:ACETONE'>ACN</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|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>
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_1fjo|  PDB=1fjo  |  SCENE=  }}
-|RELATEDENTRY=[[1tli|1tli]], [[2tli|2Tli]], [[3tli|3tli]], [[4tli|4tli]], [[5tli|5tli]], [[6tli|6tli]], [[7tli|7tli]], [[8tli|8TLI]], [[1fj3|1FJ3]], [[1fjq|1FJQ]], [[1fjt|1FJT]], [[1fju|1FJU]], [[1fjv|1FJV]], [[1fjw|1FJW]]
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fjo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fjo OCA], [http://www.ebi.ac.uk/pdbsum/1fjo PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1fjo RCSB]</span>
-}}
 '''THERMOLYSIN (60% ACETONE SOAKED CRYSTALS)'''
@@ Line 29: / Line 26: @@
 [[Category: Groom, C R.]]
 [[Category: Hubbard, R E.]]
-[[Category: metalloproteinase]]
+[[Category: Metalloproteinase]]
-[[Category: organic solvent]]
+[[Category: Organic solvent]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May  2 16:24:28 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 20:24:18 2008''