Brand  (β version)

PDB ID: 3U4R

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
08F 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-N-({3-[(methylsulfonyl)amino]phenyl}sulfonyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1h-indole-2-carboxamide PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 3U4R   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides
Release Data : 2011-12-07
Compound :
mol_id molecule chains synonym
1 RNA-directed RNA polymerase A,B NS5B RNA-dependent RNA polymerase, p68
ec: 2.7.7.48
fragment: UNP residues 2420-2989
Source :
mol_id organism_scientific organism_common expression_system
1 Hepatitis C virus  (taxid:420174) HCV Escherichia coli  (taxid:562)
strain: HC-J4
gene: NS5B
Authors : Anilkumar, G.N., Selyutin, O., Rosenblum, S.B., Zeng, Q., Jiang, Y., Chan, T.-Y., Pu, H., Wang, L., Bennett, F., Chen, K.X., Lesburg, C.A., Duca, J.S., Gavalas, S., Huang, Y., Pinto, P., Sannagrahi, M., Velazquez, F., Venkataraman, S., Vilbubhan, B., Agrawal, S., Ferrari, E., Jiang, C.-K., Huang, H.-C., Shih, N.-Y., Njoroge, F.G., Kozlowski, J.A.
Keywords : nucleotidyl transfer, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.00 Å )
Citation :

II. Novel HCV NS5B polymerase inhibitors: Discovery of indole C2 acyl sulfonamides.

Anilkumar, G.N.,Selyutin, O.,Rosenblum, S.B.  et al.
(2012)  Bioorg.Med.Chem.Lett.  22 : 713 - 717

PubMed: 22104146
DOI: 10.1016/j.bmcl.2011.10.041

Reaction

Chain : A, B
UniProt : O92972 (POLG_HCVJ4)
Reaction: EC: Evidence:
Physiological Direction:
[Serine protease/helicase NS3]
Hydrolysis of four peptide bonds in the viral precursor polyprotein, commonly with Asp or Glu in the P6 position, Cys or Thr in P1 and Ser or Ala in P1'. 		3.4.21.98 UniProtKB:P27958
-
[Serine protease/helicase NS3]
a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + H(+) + phosphate 		3.6.1.15 UniProtKB:P27958
-
[Serine protease/helicase NS3]
ATP + H2O = ADP + H(+) + phosphate 		3.6.4.13 UniProtKB:P27958
-
[RNA-directed RNA polymerase]
a ribonucleoside 5'-triphosphate + RNA(n) = diphosphate + RNA(n+1) 		2.7.7.48 PROSITE-ProRule:PRU00539
-