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1gmd

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[[Image:1gmd.jpg|left|200px]]<br /><applet load="1gmd" size="350" color="white" frame="true" align="right" spinBox="true"
 
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caption="1gmd, resolution 2.2&Aring;" />
 
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'''X-ray crystal structure of gamma-chymotrypsin in hexane'''<br />
 
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==Overview==
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==X-ray crystal structure of gamma-chymotrypsin in hexane==
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Crystals of gamma-chymotrypsin grown in aqueous solution were soaked in n-hexane, and the structures of both the soaked and the native crystals were determined to 2.2-A resolution. Seven hexane molecules and 130 water molecules were found in the hexane-soaked crystals. Two of the seven hexane molecules are found near the active site, and the rest are close to hydrophobic regions on or near the surface of the enzyme. In the hexane structure, water molecules that were not observed in the native structure form a clathrate around one of the hexane molecules. Only 97 water molecules were found in the native structure. The temperature factors for atoms in the hexane environment are lower than those in the aqueous environment. There are significant changes between the two structures in the side chains of both polar and neutral residues, particularly in the vicinity of the hexane molecules. These changes have perturbed the hydrogen-bonding patterns. The electron density for the peptide bound in the active site has been dramatically altered in hexane and appears to be tetrahedral at the carbon that is covalently bound to Ser 195. The crystalline enzyme retains its active conformation in the nonpolar medium and can catalyze both hydrolysis and synthesis reactions in hexane.
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<StructureSection load='1gmd' size='340' side='right'caption='[[1gmd]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
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== Structural highlights ==
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<table><tr><td colspan='2'>[[1gmd]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GMD OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1GMD FirstGlance]. <br>
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.2&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=HEX:HEXANE'>HEX</scene></td></tr>
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=1gmd FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1gmd OCA], [https://pdbe.org/1gmd PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1gmd RCSB], [https://www.ebi.ac.uk/pdbsum/1gmd PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1gmd ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/CTRA_BOVIN CTRA_BOVIN]
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/gm/1gmd_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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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=1gmd ConSurf].
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<div style="clear:both"></div>
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==About this Structure==
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==See Also==
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1GMD is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus] with <scene name='pdbligand=HEX:'>HEX</scene> as [http://en.wikipedia.org/wiki/ligand ligand]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1GMD OCA].
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*[[Chymotrypsin 3D structures|Chymotrypsin 3D structures]]
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__TOC__
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==Reference==
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</StructureSection>
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X-ray crystal structure of gamma-chymotrypsin in hexane., Yennawar NH, Yennawar HP, Farber GK, Biochemistry. 1994 Jun 14;33(23):7326-36. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=8003497 8003497]
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[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Chymotrypsin]]
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[[Category: Large Structures]]
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[[Category: Protein complex]]
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[[Category: Banerjee S]]
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[[Category: Banerjee, S.]]
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[[Category: Farber GK]]
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[[Category: Farber, G K.]]
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[[Category: Yennawar HP]]
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[[Category: Yennawar, H P.]]
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[[Category: Yennawar NH]]
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[[Category: Yennawar, N H.]]
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[[Category: HEX]]
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[[Category: hydrolase(serine protease)]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 12:51:39 2008''
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Current revision

X-ray crystal structure of gamma-chymotrypsin in hexane

PDB ID 1gmd

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