2a4g: Difference between revisions

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[[Image:2a4g.gif|left|200px]]
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{{STRUCTURE_2a4g|  PDB=2a4g  |  SCENE=  }}
'''Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound'''


==Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound==
<StructureSection load='2a4g' size='340' side='right'caption='[[2a4g]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
== Structural highlights ==
<table><tr><td colspan='2'>[[2a4g]] is a 4 chain structure with sequence from [https://en.wikipedia.org/wiki/Hepacivirus_hominis Hepacivirus hominis] and [https://en.wikipedia.org/wiki/Hepatitis_C_virus_subtype_1b Hepatitis C virus subtype 1b]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A4G OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2A4G FirstGlance]. <br>
</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='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=UNH:({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC+ACID+ISOBUTYL+ESTER'>UNH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene></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=2a4g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4g OCA], [https://pdbe.org/2a4g PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2a4g RCSB], [https://www.ebi.ac.uk/pdbsum/2a4g PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2a4g ProSAT]</span></td></tr>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9QP61_9HEPC Q9QP61_9HEPC]
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
We have discovered that introduction of appropriate amino acid derivatives at P'2 position improved the binding potency of P3-capped alpha-ketoamide inhibitors of HCV NS3 serine protease. X-ray crystal structure of one of the inhibitors (43) bound to the protease revealed the importance of the P'2 moiety.


==Overview==
Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency.,Arasappan A, Njoroge FG, Chan TY, Bennett F, Bogen SL, Chen K, Gu H, Hong L, Jao E, Liu YT, Lovey RG, Parekh T, Pike RE, Pinto P, Santhanam B, Venkatraman S, Vaccaro H, Wang H, Yang X, Zhu Z, Mckittrick B, Saksena AK, Girijavallabhan V, Pichardo J, Butkiewicz N, Ingram R, Malcolm B, Prongay A, Yao N, Marten B, Madison V, Kemp S, Levy O, Lim-Wilby M, Tamura S, Ganguly AK Bioorg Med Chem Lett. 2005 Oct 1;15(19):4180-4. PMID:16087332<ref>PMID:16087332</ref>
We have discovered that introduction of appropriate amino acid derivatives at P'2 position improved the binding potency of P3-capped alpha-ketoamide inhibitors of HCV NS3 serine protease. X-ray crystal structure of one of the inhibitors (43) bound to the protease revealed the importance of the P'2 moiety.


==About this Structure==
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
2A4G is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2A4G OCA].
</div>
<div class="pdbe-citations 2a4g" style="background-color:#fffaf0;"></div>


==Reference==
==See Also==
Hepatitis C virus NS3-4A serine protease inhibitors: SAR of P'2 moiety with improved potency., Arasappan A, Njoroge FG, Chan TY, Bennett F, Bogen SL, Chen K, Gu H, Hong L, Jao E, Liu YT, Lovey RG, Parekh T, Pike RE, Pinto P, Santhanam B, Venkatraman S, Vaccaro H, Wang H, Yang X, Zhu Z, Mckittrick B, Saksena AK, Girijavallabhan V, Pichardo J, Butkiewicz N, Ingram R, Malcolm B, Prongay A, Yao N, Marten B, Madison V, Kemp S, Levy O, Lim-Wilby M, Tamura S, Ganguly AK, Bioorg Med Chem Lett. 2005 Oct 1;15(19):4180-4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16087332 16087332]
*[[Helicase 3D structures|Helicase 3D structures]]
[[Category: Hepatitis c virus]]
*[[Virus protease 3D structures|Virus protease 3D structures]]
[[Category: Protein complex]]
== References ==
[[Category: Arasappan, A.]]
<references/>
[[Category: Bennett, F.]]
__TOC__
[[Category: Bogen, S L.]]
</StructureSection>
[[Category: Butkiewicz, N.]]
[[Category: Hepacivirus hominis]]
[[Category: Chan, T Y.]]
[[Category: Hepatitis C virus subtype 1b]]
[[Category: Chen, K.]]
[[Category: Large Structures]]
[[Category: Ganguly, A K.]]
[[Category: Arasappan A]]
[[Category: Girijavallabhan, V.]]
[[Category: Bennett F]]
[[Category: Gu, H.]]
[[Category: Bogen SL]]
[[Category: Hong, L.]]
[[Category: Butkiewicz N]]
[[Category: Ingram, R.]]
[[Category: Chan TY]]
[[Category: Jao, E.]]
[[Category: Chen K]]
[[Category: Kemp, S.]]
[[Category: Ganguly AK]]
[[Category: Levy, O.]]
[[Category: Girijavallabhan V]]
[[Category: Lim-Wilby, M.]]
[[Category: Gu H]]
[[Category: Liu, Y T.]]
[[Category: Hong L]]
[[Category: Lovey, R G.]]
[[Category: Ingram R]]
[[Category: Malcolm, B.]]
[[Category: Jao E]]
[[Category: Marten, B.]]
[[Category: Kemp S]]
[[Category: Mckittrick, B.]]
[[Category: Levy O]]
[[Category: Njoroge, F G.]]
[[Category: Lim-Wilby M]]
[[Category: Parekh, T.]]
[[Category: Liu YT]]
[[Category: Pichardo, J.]]
[[Category: Lovey RG]]
[[Category: Pike, R E.]]
[[Category: Madison V]]
[[Category: Pinto, P.]]
[[Category: Malcolm B]]
[[Category: Prongay, A J.]]
[[Category: Marten B]]
[[Category: Saksena, A K.]]
[[Category: Mckittrick B]]
[[Category: Santhanam, B.]]
[[Category: Njoroge FG]]
[[Category: Tamura, S.]]
[[Category: Parekh T]]
[[Category: V., Madison]]
[[Category: Pichardo J]]
[[Category: Vaccaro, H.]]
[[Category: Pike RE]]
[[Category: Venkatraman, S.]]
[[Category: Pinto P]]
[[Category: Wang, H.]]
[[Category: Prongay AJ]]
[[Category: Yang, X.]]
[[Category: Saksena AK]]
[[Category: Yao, N.]]
[[Category: Santhanam B]]
[[Category: Zhu, Z.]]
[[Category: Tamura S]]
[[Category: Virus/viral protein]]
[[Category: Vaccaro H]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 18:35:22 2008''
[[Category: Venkatraman S]]
[[Category: Wang H]]
[[Category: Yang X]]
[[Category: Yao N]]
[[Category: Zhu Z]]
Retrieved from "https://proteopedia.org/2a4g"