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==THERMOLYSIN (70% ACETONE SOAKED CRYSTALS)==
==THERMOLYSIN (70% ACETONE SOAKED CRYSTALS)==
<StructureSection load='1fjq' size='340' side='right' caption='[[1fjq]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
<StructureSection load='1fjq' size='340' side='right'caption='[[1fjq]], [[Resolution|resolution]] 1.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[1fjq]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FJQ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1FJQ FirstGlance]. <br>
<table><tr><td colspan='2'>[[1fjq]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Bacillus_thermoproteolyticus Bacillus thermoproteolyticus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1FJQ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1FJQ FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><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></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.7&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[1tli|1tli]], [[2tli|2tli]], [[3tli|3tli]], [[4tli|4tli]], [[5tli|5tli]], [[6tli|6tli]], [[7tli|7tli]], [[8tli|8tli]], [[1fjo|1fjo]], [[1fj3|1fj3]], [[1fjt|1fjt]], [[1fju|1fju]], [[1fjv|1fjv]], [[1fjw|1fjw]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><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></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><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></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1fjq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fjq OCA], [https://pdbe.org/1fjq PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1fjq RCSB], [https://www.ebi.ac.uk/pdbsum/1fjq PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1fjq ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1fjq FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1fjq OCA], [http://pdbe.org/1fjq PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1fjq RCSB], [http://www.ebi.ac.uk/pdbsum/1fjq PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=1fjq ProSAT]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/THER_BACTH THER_BACTH]] Extracellular zinc metalloprotease.  
[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH] Extracellular zinc metalloprotease.
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1fjq ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=1fjq ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
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.
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<ref>PMID:11287678</ref>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 1fjq" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Thermolysin|Thermolysin]]
*[[Thermolysin 3D structures|Thermolysin 3D structures]]
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Bacillus thermoproteolyticus]]
[[Category: Bacillus thermoproteolyticus]]
[[Category: Thermolysin]]
[[Category: Large Structures]]
[[Category: English, A C]]
[[Category: English AC]]
[[Category: Groom, C R]]
[[Category: Groom CR]]
[[Category: Hubbard, R E]]
[[Category: Hubbard RE]]
[[Category: Hydrolase]]
[[Category: Metalloproteinase]]
[[Category: Organic solvent]]

Latest revision as of 10:15, 7 February 2024

THERMOLYSIN (70% ACETONE SOAKED CRYSTALS)THERMOLYSIN (70% ACETONE SOAKED CRYSTALS)

Structural highlights

1fjq is a 1 chain structure with sequence from Bacillus thermoproteolyticus. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.7Å
Ligands:, , ,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

THER_BACTH Extracellular zinc metalloprotease.

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

1fjq, resolution 1.70Å

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OCA
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