2a4g

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{{Seed}}
 
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[[Image:2a4g.png|left|200px]]
 
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==Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound==
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The line below this paragraph, containing "STRUCTURE_2a4g", creates the "Structure Box" on the page.
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<StructureSection load='2a4g' size='340' side='right'caption='[[2a4g]], [[Resolution|resolution]] 2.50&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'>[[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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or leave the SCENE parameter empty for the default display.
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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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<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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{{STRUCTURE_2a4g| PDB=2a4g | 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=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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</table>
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== Function ==
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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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== Publication Abstract from PubMed ==
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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.
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===Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound===
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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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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 2a4g" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_16087332}}, adds the Publication Abstract to the page
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*[[Helicase 3D structures|Helicase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 16087332 is the PubMed ID number.
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*[[Virus protease 3D structures|Virus protease 3D structures]]
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== References ==
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{{ABSTRACT_PUBMED_16087332}}
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<references/>
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__TOC__
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==About this Structure==
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</StructureSection>
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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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[[Category: Hepacivirus hominis]]
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[[Category: Hepatitis C virus subtype 1b]]
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==Reference==
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[[Category: Large Structures]]
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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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[[Category: Arasappan A]]
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[[Category: Bennett F]]
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Crystal structure of the hepatitis C virus NS3 protease domain complexed with a synthetic NS4A cofactor peptide., Kim JL, Morgenstern KA, Lin C, Fox T, Dwyer MD, Landro JA, Chambers SP, Markland W, Lepre CA, O'Malley ET, Harbeson SL, Rice CM, Murcko MA, Caron PR, Thomson JA, Cell. 1996 Oct 18;87(2):343-55. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8861917 8861917]
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[[Category: Bogen SL]]
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[[Category: Butkiewicz N]]
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The crystal structure of hepatitis C virus NS3 proteinase reveals a trypsin-like fold and a structural zinc binding site., Love RA, Parge HE, Wickersham JA, Hostomsky Z, Habuka N, Moomaw EW, Adachi T, Hostomska Z, Cell. 1996 Oct 18;87(2):331-42. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/8861916 8861916]
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[[Category: Chan TY]]
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[[Category: Chen K]]
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Complex of NS3 protease and NS4A peptide of BK strain hepatitis C virus: a 2.2 A resolution structure in a hexagonal crystal form., Yan Y, Li Y, Munshi S, Sardana V, Cole JL, Sardana M, Steinkuehler C, Tomei L, De Francesco R, Kuo LC, Chen Z, Protein Sci. 1998 Apr;7(4):837-47. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/9568891 9568891]
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[[Category: Ganguly AK]]
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[[Category: Girijavallabhan V]]
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Inhibition of the hepatitis C virus NS3/4A protease. The crystal structures of two protease-inhibitor complexes., Di Marco S, Rizzi M, Volpari C, Walsh MA, Narjes F, Colarusso S, De Francesco R, Matassa VG, Sollazzo M, J Biol Chem. 2000 Mar 10;275(10):7152-7. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10702283 10702283]
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[[Category: Gu H]]
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[[Category: Hepatitis c virus]]
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[[Category: Hong L]]
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[[Category: Protein complex]]
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[[Category: Ingram R]]
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[[Category: Arasappan, A.]]
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[[Category: Jao E]]
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[[Category: Bennett, F.]]
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[[Category: Kemp S]]
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[[Category: Bogen, S L.]]
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[[Category: Levy O]]
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[[Category: Butkiewicz, N.]]
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[[Category: Lim-Wilby M]]
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[[Category: Chan, T Y.]]
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[[Category: Liu YT]]
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[[Category: Chen, K.]]
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[[Category: Lovey RG]]
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[[Category: Ganguly, A K.]]
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[[Category: Madison V]]
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[[Category: Girijavallabhan, V.]]
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[[Category: Malcolm B]]
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[[Category: Gu, H.]]
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[[Category: Marten B]]
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[[Category: Hong, L.]]
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[[Category: Mckittrick B]]
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[[Category: Ingram, R.]]
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[[Category: Njoroge FG]]
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[[Category: Jao, E.]]
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[[Category: Parekh T]]
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[[Category: Kemp, S.]]
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[[Category: Pichardo J]]
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[[Category: Levy, O.]]
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[[Category: Pike RE]]
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[[Category: Lim-Wilby, M.]]
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[[Category: Pinto P]]
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[[Category: Liu, Y T.]]
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[[Category: Prongay AJ]]
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[[Category: Lovey, R G.]]
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[[Category: Saksena AK]]
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[[Category: Malcolm, B.]]
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[[Category: Santhanam B]]
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[[Category: Marten, B.]]
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[[Category: Tamura S]]
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[[Category: Mckittrick, B.]]
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[[Category: Vaccaro H]]
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[[Category: Njoroge, F G.]]
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[[Category: Venkatraman S]]
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[[Category: Parekh, T.]]
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[[Category: Wang H]]
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[[Category: Pichardo, J.]]
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[[Category: Yang X]]
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[[Category: Pike, R E.]]
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[[Category: Yao N]]
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[[Category: Pinto, P.]]
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[[Category: Zhu Z]]
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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 Tue Jul 29 13:19:20 2008''
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Current revision

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

PDB ID 2a4g

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