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3bg4

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The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor

Structural highlights

3bg4 is a 4 chain structure with sequence from Bos taurus and Hirudo nipponia. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:	X-ray diffraction, Resolution 2.5Å
Resources:	FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

CTRB_BOVIN

Evolutionary Conservation

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

Publication Abstract from PubMed

Guamerin, a canonical serine protease inhibitor from Hirudo nipponia, was identified as an elastase-specific inhibitor and has potential application in various diseases caused by elevated elastase concentration. However, the application of guamerin is limited because it also shows inhibitory activity against other proteases. To improve the selectivity of guamerin as an elastase inhibitor, it is essential to understand the binding mode of the inhibitor to elastase and to other proteases. For this purpose, we determined the crystal structure of guamerin in complex with chymotrypsin at 2.5 A resolution. The binding mode of guamerin on elastase was explored from the model structure of guamerin/elastase. Guamerin binds to the hydrophobic pocket of the protease in a substrate-like manner using its binding loop. In order to improve the binding selectivity of guamerin to elastase, several residues in the binding loop were mutated and the inhibitory activities of the mutants against elastase and chymotrypsin were monitored. The substitution of the Met36 residue for Ala in the P1 site increased the inhibitory activity against elastase up to 14-fold, while the same mutant showed 7-fold decreased activity against chymotrypsin compared to the wild-type guamerin. Furthermore, the M36A guamerin mutant more effectively protected endothelial cells against cell damage caused by elastase than the wild-type guamerin.

The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor.,Kim H, Chu TT, Kim DY, Kim DR, Nguyen CM, Choi J, Lee JR, Hahn MJ, Kim KK J Mol Biol. 2008 Feb 8;376(1):184-92. Epub 2007 Dec 4. PMID:18155725^[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

↑ Kim H, Chu TT, Kim DY, Kim DR, Nguyen CM, Choi J, Lee JR, Hahn MJ, Kim KK. The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor. J Mol Biol. 2008 Feb 8;376(1):184-92. Epub 2007 Dec 4. PMID:18155725 doi:10.1016/j.jmb.2007.11.089

1 Structural highlights
2 Function
3 Evolutionary Conservation
4 Publication Abstract from PubMed
5 See Also
6 References

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/3bg4"

@@ Line 3: / Line 3: @@
 <StructureSection load='3bg4' size='340' side='right'caption='[[3bg4]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
 == Structural highlights ==
-<table><tr><td colspan='2'>[[3bg4]] is a 4 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [http://en.wikipedia.org/wiki/Hirni Hirni]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BG4 OCA]. For a <b>guided tour on the structure components</b> use [http://proteopedia.org/fgij/fg.htm?mol=3BG4 FirstGlance]. <br>
+<table><tr><td colspan='2'>[[3bg4]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus] and [https://en.wikipedia.org/wiki/Hirudo_nipponia Hirudo nipponia]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3BG4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BG4 FirstGlance]. <br>
-</td></tr><tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Chymotrypsin Chymotrypsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.1 3.4.21.1] </span></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]] 2.5&#8491;</td></tr>
-<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://proteopedia.org/fgij/fg.htm?mol=3bg4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bg4 OCA], [http://pdbe.org/3bg4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3bg4 RCSB], [http://www.ebi.ac.uk/pdbsum/3bg4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3bg4 ProSAT]</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=3bg4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3bg4 OCA], [https://pdbe.org/3bg4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3bg4 RCSB], [https://www.ebi.ac.uk/pdbsum/3bg4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3bg4 ProSAT]</span></td></tr>
 </table>
 == Function ==
-[[http://www.uniprot.org/uniprot/GUAM_HIRNI GUAM_HIRNI]] Inhibits mammalian elastases.
+[https://www.uniprot.org/uniprot/CTRB_BOVIN CTRB_BOVIN]
 == Evolutionary Conservation ==
 [[Image:Consurf_key_small.gif|200px|right]]
@@ Line 36: / Line 36: @@
 </StructureSection>
 [[Category: Bos taurus]]
-[[Category: Chymotrypsin]]
+[[Category: Hirudo nipponia]]
-[[Category: Hirni]]
 [[Category: Large Structures]]
-[[Category: Choi, J]]
+[[Category: Choi J]]
-[[Category: Chu, T T.T]]
+[[Category: Chu TTT]]
-[[Category: Hahn, M J]]
+[[Category: Hahn MJ]]
-[[Category: Kim, D R]]
+[[Category: Kim DR]]
-[[Category: Kim, D Y]]
+[[Category: Kim DY]]
-[[Category: Kim, H]]
+[[Category: Kim H]]
-[[Category: Kim, K K]]
+[[Category: Kim KK]]
-[[Category: Lee, J R]]
+[[Category: Lee JR]]
-[[Category: Nguyen, C M.T]]
+[[Category: Nguyen CMT]]
-[[Category: Digestion]]
-[[Category: Elastase]]
-[[Category: Guamerin]]
-[[Category: Hydrolase]]
-[[Category: Hydrolase-hydrolase inhibitor complex]]
-[[Category: Inhibitor]]
-[[Category: Protease]]
-[[Category: Protease inhibitor]]
-[[Category: Secreted]]
-[[Category: Serine protease]]
-[[Category: Serine protease inhibitor]]
-[[Category: Zymogen]]

3bg4

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Current revision

The crystal structure of guamerin in complex with chymotrypsin and the development of an elastase-specific inhibitor

Structural highlights

Function

Evolutionary Conservation

Publication Abstract from PubMed

See Also

References

Contents

Proteopedia Page Contributors and Editors (what is this?)

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