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PDBe Entry: 2a4g 
Hepatitis C Protease NS3-4A serine protease with Ketoamide Inhibitor SCH225724 Bound
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Viral Protein
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X-RAY DIFFRACTION
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Resolution: 2.5 Å, R-factor: 19.3%, Free R-factor: 26.5%, Spacegroup: H 3 2
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04/07/2006, deposition: 28/06/2005, last revision: 24/02/2009
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Arasappan, A.; Njoroge, F.G.; Chan, T.Y.; Bennett, F.; Bogen, S.L.; Chen, K.; Gu, H.; Hong, L.; Jao, E.; Liu, Y.T.; Lovey, R.G.; Parekh, T.; Pike, R.E.; Pinto, P.; Santhanam, B.; Venkatraman, S.; Vaccaro, H.; Wang, H.; Yang, X.; Zhu, Z.; Mckittrick, B.; Saksena, A.K.; Girijavallabhan, V.; Pichardo, J.; Butkiewicz, N.; Ingram, R.; Malcolm, B.; Prongay, A.J.; Yao, N.; Marten, B.; V., Madison; Kemp, S.; Levy, O.; Lim-Wilby, M.; Tamura, S.; Ganguly, A.K.
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Hepatitis C virus NS3-4a serine protease inhibitors. SAR of P2' moiety with improved potency.
BIOORG.MED.CHEM.LETT. vol:15, pag:4180-4184 (2005) [PubMed ID 16087332 ]
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Viral Protein
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2.7.7.48 ExPASy BRENDA 3.4.21.98 ExPASy BRENDA 3.6.1.15 ExPASy BRENDA (A C)
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Hepatitis C virus 11103(A C)
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Genome polyprotein [Contains: Core protein p21 (Capsid protein C) (p21); Core protein p19; Envelope glycoprotein E1 (gp32) (gp35); Envelope glycoprotein E2 (NS1) (gp68) (gp70); p7; Protease NS2-3 (EC 3.4.22.-) (p23); Serine protease/NTPase/helicase NS3 (EC 3.4.21.98) (EC 3.6.1.15) (EC 3.6.1.-) (Hepacivirin) (NS3P) (p70); Non-structural protein 4A (NS4A) (p8); Non-structural protein 4B (NS4B) (p27); Non-structural protein 5A (NS5A) (p56); RNA-directed RNA polymerase (EC 2.7.7.48) (NS5B) (p68)] P26664 (A C)
Polyprotein,Genome polyprotein Q9QP61 (B D)
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A, B, C, D
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| A, C |
NS3 protease/helicase |
Protein |
P26664 (POLG_HCV1)
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200 |
90% |
| B, D |
NS4a peptide |
Protein |
Q9QP61 (Q9QP61_9HEPC)
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23 |
95% |
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| A, C |
ZINC ION |
ZN
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| A |
({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER |
UNH
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