1y3g

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[[Image:1y3g.gif|left|200px]]
[[Image:1y3g.gif|left|200px]]
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{{Structure
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|PDB= 1y3g |SIZE=350|CAPTION= <scene name='initialview01'>1y3g</scene>, resolution 2.10&Aring;
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The line below this paragraph, containing "STRUCTURE_1y3g", 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=3PL:3-PHENYLPROPANAL'>3PL</scene>, <scene name='pdbligand=AMM:(2S)-2-{[(AMINOMETHYL)(DIHYDROXY)SILYL]METHYL}-4-METHYLPENTANAL'>AMM</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>
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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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|DOMAIN=
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{{STRUCTURE_1y3g| PDB=1y3g | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1y3g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1y3g OCA], [http://www.ebi.ac.uk/pdbsum/1y3g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1y3g RCSB]</span>
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'''Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin'''
'''Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin'''
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[[Category: Matthews, B W.]]
[[Category: Matthews, B W.]]
[[Category: Sieburth, S M.]]
[[Category: Sieburth, S M.]]
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[[Category: silanediol protease inhibitor]]
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[[Category: Silanediol protease inhibitor]]
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[[Category: thermolysin]]
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[[Category: Thermolysin]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 15:50:20 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 00:58:17 2008''
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Revision as of 12:50, 3 May 2008

Image:1y3g.gif


PDB ID 1y3g

Drag the structure with the mouse to rotate
1y3g, resolution 2.10Å ()
Ligands: , , ,
Non-Standard Residues:
Activity: Thermolysin, with EC number 3.4.24.27
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of a Silanediol Protease Inhibitor Bound to Thermolysin


Overview

Dialkylsilanediols have been found to be an effective functional group for the design of active-site-directed protease inhibitors, including aspartic (HIV protease) and metallo (ACE and thermolysin) proteases. The use of silanediols is predicated on its resemblance to the hydrated carbonyl transition-state structure of amide hydrolysis. This concept has been tested by replacing the presumed tetrahedral carbon of a thermolysin substrate with a silanediol group, resulting in an inhibitor with an inhibition constant K(i) = 40 nM. The structure of the silanediol bound to the active site of thermolysin was found to have a conformation very similar to that of a corresponding phosphonamidate inhibitor (K(i) = 10 nM). In both cases, a single oxygen is within bonding distance to the active-site zinc ion, mimicking the presumed tetrahedral transition state. There are binding differences that appear to be related to the presence or absence of protons on the oxygens attached to the silicon or phosphorus. This is the first crystal structure of an organosilane bound to the active site of a protease.

About this Structure

1Y3G is a Single protein structure of sequence from Bacillus thermoproteolyticus. Full crystallographic information is available from OCA.

Reference

Structural analysis of silanediols as transition-state-analogue inhibitors of the benchmark metalloprotease thermolysin., Juers DH, Kim J, Matthews BW, Sieburth SM, Biochemistry. 2005 Dec 20;44(50):16524-8. PMID:16342943 Page seeded by OCA on Sat May 3 15:50:20 2008

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