2a4r

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|PDB= 2a4r |SIZE=350|CAPTION= <scene name='initialview01'>2a4r</scene>, resolution 2.40&Aring;
|PDB= 2a4r |SIZE=350|CAPTION= <scene name='initialview01'>2a4r</scene>, resolution 2.40&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene> and <scene name='pdbligand=BNH:[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID'>BNH</scene>
+
|LIGAND= <scene name='pdbligand=BNH:[(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC+ACID'>BNH</scene>, <scene name='pdbligand=ZN:ZINC+ION'>ZN</scene>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
 +
|DOMAIN=
 +
|RELATEDENTRY=[[1a1r|1A1R]], [[2a4g|2A4G]], [[1jxp|1JXP]], [[1n1l|1N1L]], [[1ns3|1NS3]], [[1rtl|1RTL]]
 +
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2a4r FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2a4r OCA], [http://www.ebi.ac.uk/pdbsum/2a4r PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2a4r RCSB]</span>
}}
}}
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[[Category: Prongay, A.]]
[[Category: Prongay, A.]]
[[Category: Saksena, A K.]]
[[Category: Saksena, A K.]]
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[[Category: BNH]]
 
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[[Category: ZN]]
 
[[Category: virus/viral protein]]
[[Category: virus/viral protein]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:45:22 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:47:51 2008''

Revision as of 22:47, 30 March 2008

Image:2a4r.gif


PDB ID 2a4r

Drag the structure with the mouse to rotate
, resolution 2.40Å
Ligands: ,
Related: 1A1R, 2A4G, 1JXP, 1N1L, 1NS3, 1RTL


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



HCV NS3 Protease Domain with a Ketoamide Inhibitor Covalently bound.


Overview

Modification of the P(2) and P(1) side chains of earlier P(3)-capped alpha-ketoamide inhibitor of HCV NS3 serine protease 1 resulted in the discovery of compound 24 with about 10-fold improvement in potency.

About this Structure

2A4R is a Protein complex structure of sequences from Hepatitis c virus. Full crystallographic information is available from OCA.

Reference

Hepatitis C virus NS3-4A serine protease inhibitors: use of a P2-P1 cyclopropyl alanine combination for improved potency., Bogen S, Saksena AK, Arasappan A, Gu H, Njoroge FG, Girijavallabhan V, Pichardo J, Butkiewicz N, Prongay A, Madison V, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4515-9. PMID:16112862

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