2a4g

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[[Image:2a4g.gif|left|200px]]
 
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{{Structure
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==Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound==
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|PDB= 2a4g |SIZE=350|CAPTION= <scene name='initialview01'>2a4g</scene>, resolution 2.50&Aring;
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<StructureSection load='2a4g' size='340' side='right'caption='[[2a4g]], [[Resolution|resolution]] 2.50&Aring;' scene=''>
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|SITE=
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== Structural highlights ==
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|LIGAND= <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>
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<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>
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|ACTIVITY=
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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]] 2.5&#8491;</td></tr>
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|GENE=
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<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>
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|DOMAIN=
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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=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>
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|RELATEDENTRY=
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</table>
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2a4g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4g OCA], [http://www.ebi.ac.uk/pdbsum/2a4g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2a4g RCSB]</span>
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== Function ==
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}}
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[https://www.uniprot.org/uniprot/Q9QP61_9HEPC Q9QP61_9HEPC]
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<div style="background-color:#fffaf0;">
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'''Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound'''
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== Publication Abstract from PubMed ==
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==Overview==
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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.
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.
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==About this Structure==
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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>
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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].
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==Reference==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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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]
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</div>
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[[Category: Hepatitis c virus]]
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<div class="pdbe-citations 2a4g" style="background-color:#fffaf0;"></div>
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[[Category: Protein complex]]
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[[Category: Arasappan, A.]]
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[[Category: Bennett, F.]]
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[[Category: Bogen, S L.]]
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[[Category: Butkiewicz, N.]]
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[[Category: Chan, T Y.]]
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[[Category: Chen, K.]]
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[[Category: Ganguly, A K.]]
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[[Category: Girijavallabhan, V.]]
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[[Category: Gu, H.]]
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[[Category: Hong, L.]]
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[[Category: Ingram, R.]]
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[[Category: Jao, E.]]
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[[Category: Kemp, S.]]
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[[Category: Levy, O.]]
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[[Category: Lim-Wilby, M.]]
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[[Category: Liu, Y T.]]
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[[Category: Lovey, R G.]]
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[[Category: Malcolm, B.]]
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[[Category: Marten, B.]]
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[[Category: Mckittrick, B.]]
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[[Category: Njoroge, F G.]]
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[[Category: Parekh, T.]]
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[[Category: Pichardo, J.]]
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[[Category: Pike, R E.]]
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[[Category: Pinto, P.]]
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[[Category: Prongay, A J.]]
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[[Category: Saksena, A K.]]
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[[Category: Santhanam, B.]]
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[[Category: Tamura, S.]]
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[[Category: V., Madison]]
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[[Category: Vaccaro, H.]]
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[[Category: Venkatraman, S.]]
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[[Category: Wang, H.]]
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[[Category: Yang, X.]]
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[[Category: Yao, N.]]
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[[Category: Zhu, Z.]]
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[[Category: virus/viral protein]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:47:44 2008''
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==See Also==
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*[[Helicase 3D structures|Helicase 3D structures]]
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Hepacivirus hominis]]
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[[Category: Hepatitis C virus subtype 1b]]
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[[Category: Large Structures]]
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[[Category: Arasappan A]]
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[[Category: Bennett F]]
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[[Category: Bogen SL]]
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[[Category: Butkiewicz N]]
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[[Category: Chan TY]]
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[[Category: Chen K]]
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[[Category: Ganguly AK]]
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[[Category: Girijavallabhan V]]
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[[Category: Gu H]]
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[[Category: Hong L]]
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[[Category: Ingram R]]
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[[Category: Jao E]]
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[[Category: Kemp S]]
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[[Category: Levy O]]
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[[Category: Lim-Wilby M]]
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[[Category: Liu YT]]
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[[Category: Lovey RG]]
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[[Category: Madison V]]
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[[Category: Malcolm B]]
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[[Category: Marten B]]
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[[Category: Mckittrick B]]
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[[Category: Njoroge FG]]
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[[Category: Parekh T]]
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[[Category: Pichardo J]]
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[[Category: Pike RE]]
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[[Category: Pinto P]]
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[[Category: Prongay AJ]]
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[[Category: Saksena AK]]
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[[Category: Santhanam B]]
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[[Category: Tamura S]]
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[[Category: Vaccaro H]]
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[[Category: Venkatraman S]]
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[[Category: Wang H]]
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[[Category: Yang X]]
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[[Category: Yao N]]
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[[Category: Zhu Z]]

Current revision

Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound

PDB ID 2a4g

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