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[[Image:6tmn.gif|left|200px]]


{{Structure
==Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond==
|PDB= 6tmn |SIZE=350|CAPTION= <scene name='initialview01'>6tmn</scene>, resolution 1.6&Aring;
<StructureSection load='6tmn' size='340' side='right'caption='[[6tmn]], [[Resolution|resolution]] 1.60&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=1LU:4-METHYL-PENTANOIC+ACID-2-OXYL+GROUP'>1LU</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=PGL:AMINOMETHYLENEPHOSPHINIC+ACID'>PGL</scene>, <scene name='pdbligand=PHQ:FORMIC+ACID+BENZYL+ESTER'>PHQ</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
<table><tr><td colspan='2'>[[6tmn]] 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=6TMN OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=6TMN FirstGlance]. <br>
|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>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.6&#8491;</td></tr>
|GENE=
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=0PI:N-[(2R,4S)-4-HYDROXY-2-(2-METHYLPROPYL)-4-OXIDO-7-OXO-9-PHENYL-3,8-DIOXA-6-AZA-4-PHOSPHANONAN-1-OYL]-L-LEUCINE'>0PI</scene>, <scene name='pdbligand=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></td></tr>
|DOMAIN=
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=6tmn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tmn OCA], [https://pdbe.org/6tmn PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=6tmn RCSB], [https://www.ebi.ac.uk/pdbsum/6tmn PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=6tmn ProSAT]</span></td></tr>
|RELATEDENTRY=
</table>
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=6tmn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=6tmn OCA], [http://www.ebi.ac.uk/pdbsum/6tmn PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=6tmn RCSB]</span>
== Function ==
}}
[https://www.uniprot.org/uniprot/THER_BACTH THER_BACTH] Extracellular zinc metalloprotease.
 
== Evolutionary Conservation ==
'''STRUCTURES OF TWO THERMOLYSIN-INHIBITOR COMPLEXES THAT DIFFER BY A SINGLE HYDROGEN BOND'''
[[Image:Consurf_key_small.gif|200px|right]]
 
Check<jmol>
 
  <jmolCheckbox>
==Overview==
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/tm/6tmn_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=6tmn ConSurf].
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
The mode of binding to thermolysin of the ester analog Cbz-GlyP-(O)-Leu-Leu has been determined by x-ray crystallography and shown to be virtually identical (maximum difference 0.2 angstrom) with the corresponding peptide analog Cbz-GlyP-(NH)-Leu-Leu. The two inhibitors provide a matched pair of enzyme-inhibitor complexes that differ by 4.1 kilocalories per mole in intrinsic binding energy but are essentially identical except for the presence or absence of a specific hydrogen bond.
The mode of binding to thermolysin of the ester analog Cbz-GlyP-(O)-Leu-Leu has been determined by x-ray crystallography and shown to be virtually identical (maximum difference 0.2 angstrom) with the corresponding peptide analog Cbz-GlyP-(NH)-Leu-Leu. The two inhibitors provide a matched pair of enzyme-inhibitor complexes that differ by 4.1 kilocalories per mole in intrinsic binding energy but are essentially identical except for the presence or absence of a specific hydrogen bond.


==About this Structure==
Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond.,Tronrud DE, Holden HM, Matthews BW Science. 1987 Jan 30;235(4788):571-4. PMID:3810156<ref>PMID:3810156</ref>
6TMN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=6TMN OCA].


==Reference==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond., Tronrud DE, Holden HM, Matthews BW, Science. 1987 Jan 30;235(4788):571-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/3810156 3810156]
</div>
[[Category: Single protein]]
<div class="pdbe-citations 6tmn" style="background-color:#fffaf0;"></div>
[[Category: Thermolysin]]
[[Category: Holden, H M.]]
[[Category: Matthews, B W.]]
[[Category: Tronrud, D E.]]
[[Category: hydrolase (metalloproteinase)]]


''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:43:40 2008''
==See Also==
*[[Thermolysin 3D structures|Thermolysin 3D structures]]
== References ==
<references/>
__TOC__
</StructureSection>
[[Category: Bacillus thermoproteolyticus]]
[[Category: Large Structures]]
[[Category: Holden HM]]
[[Category: Matthews BW]]
[[Category: Tronrud DE]]

Latest revision as of 10:18, 22 May 2024

Structures of two thermolysin-inhibitor complexes that differ by a single hydrogen bond

6tmn, resolution 1.60Å

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