3otj

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[[Image:3otj.jpg|left|200px]]
 
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==A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement==
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The line below this paragraph, containing "STRUCTURE_3otj", creates the "Structure Box" on the page.
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<StructureSection load='3otj' size='340' side='right'caption='[[3otj]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3otj]] is a 2 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=3OTJ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3OTJ 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">Hybrid , Neutron Diffraction , X-ray diffraction, [[Resolution|Resolution]] 2.15&#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=CA:CALCIUM+ION'>CA</scene>, <scene name='pdbligand=DOD:DEUTERATED+WATER'>DOD</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene></td></tr>
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{{STRUCTURE_3otj| PDB=3otj | SCENE= }}
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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=3otj FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3otj OCA], [https://pdbe.org/3otj PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3otj RCSB], [https://www.ebi.ac.uk/pdbsum/3otj PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3otj ProSAT]</span></td></tr>
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</table>
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== Function ==
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[https://www.uniprot.org/uniprot/TRY1_BOVIN TRY1_BOVIN]
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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In this work, the crystal structure of the beta-trypsin-bovine pancreatic trypsin inhibitor (BPTI) complex was refined and the D and H atoms in the complex were identified using data from both 1.6 A resolution X-ray diffraction and 2.15 A resolution neutron diffraction. After crystallization in an H(2)O solution, the sample crystal was soaked in a D(2)O solution for about two weeks. The protonation states of the catalytic triad (Asp102, His57 and Ser195) were observed. These results confirmed that the nucleophilic reactivity of the hydroxyl group of Ser195 was increased by forming a hydrogen bond with His57. According to structural analysis, the trypsin-BPTI interfaces located at the scissile peptide and the active sites were inaccessible to solvent water, and the amide H atoms of P2' Arg17/I, Gly216/E and Gly193/E at the binding interface were protected from H/D exchange. In contrast, both the amide H atom of P1' Ala16/I of the scissile peptide bond P1-P1' and the H atom between His57 N(2) and Ser195 O(gamma) were replaced by D atoms. The hydrogen-bond networks at the S1 pocket were also confirmed and discussed from the viewpoint of substrate recognition. Moreover, the first neutron crystallographic structure of the Michaelis complex state of trypsin-BPTI is presented.
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===A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement===
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X-ray and neutron protein crystallographic analysis of the trypsin-BPTI complex.,Kawamura K, Yamada T, Kurihara K, Tamada T, Kuroki R, Tanaka I, Takahashi H, Niimura N Acta Crystallogr D Biol Crystallogr. 2011 Feb;67(Pt 2):140-8. Epub 2011, Jan 15. PMID:21245536<ref>PMID:21245536</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3otj" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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[[3otj]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3OTJ OCA].
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*[[BPTI 3D structures|BPTI 3D structures]]
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*[[Trypsin 3D structures|Trypsin 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Bos taurus]]
[[Category: Bos taurus]]
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[[Category: Trypsin]]
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[[Category: Large Structures]]
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[[Category: Kawamura, K.]]
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[[Category: Kawamura K]]
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[[Category: Kurihara, K.]]
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[[Category: Kurihara K]]
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[[Category: Kuroki, R.]]
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[[Category: Kuroki R]]
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[[Category: Niimura, N.]]
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[[Category: Niimura N]]
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[[Category: Takahashi, H.]]
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[[Category: Takahashi H]]
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[[Category: Tamada, T.]]
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[[Category: Tamada T]]
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[[Category: Tanaka, I.]]
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[[Category: Tanaka I]]
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[[Category: Yamada, T.]]
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[[Category: Yamada T]]

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A Crystal Structure of Trypsin Complexed with BPTI (Bovine Pancreatic Trypsin Inhibitor) by X-ray/Neutron Joint Refinement

PDB ID 3otj

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