Brand  (β version)

PDB ID: 5QJ1

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Ligands
Code Name Style Show Link
GOL Glycerol PoSSuM
J6J 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide PoSSuM
PG4 Tetraethylene glycol PoSSuM
SO4 Sulfate ion PoSSuM
Non-standard Residues
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Structure summary

Code : 5QJ1   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE inhibitor
Title : CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 L30S NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-(ethylamino)-2-(4-fluorophenyl)-5-(3-{[1-(5-fluoropyrimidin-2-yl)cyclopropyl]carbamoyl}-4-methoxyphenyl)-N-methyl-1-benzofuran-3-carboxamide
Release Data : 2018-11-21
Compound :
mol_id molecule chains
1 RNA-dependent RNA polymerase A
ec: 2.7.7.48
fragment: N-TERMINAL CATALYTIC REGION, UNP RESIDUES 2443- 3007
mutation: L30S
Source :
mol_id organism_scientific expression_system
1 Hepacivirus C  (taxid:11103) Escherichia coli BL21(DE3)  (taxid:469008)
strain: 1
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: PET21b
Authors : Sheriff, S.
Keywords : RDRP STRUCTURE (FINGERS, PALM, THUMB DOMAINS), ACETYLATION, APOPTOSIS, ATP-BINDING, CAPSID PROTEIN, CELL MEMBRANE, CYTOPLASM, DISULFIDE BOND, ENDOPLASMIC RETICULUM, ENVELOPE PROTEIN, FUSION PROTEIN, GLYCOPROTEIN, HELICASE, HOST-VIRUS INTERACTION, HYDROLASE, INTERFERON ANTIVIRAL SYSTEM EVASION, LIPID DROPLET, LIPOPROTEIN, MEMBRANE, METAL- BINDING, MITOCHONDRION, MULTIFUNCTIONAL ENZYME, NUCLEOTIDE- BINDING, NUCLEOTIDYLTRANSFERASE, NUCLEUS, ONCOGENE, PALMITATE, PHOSPHOPROTEIN, PROTEASE, RIBONUCLEOPROTEIN, RNA REPLICATION, RNA-BINDING, RNA-DIRECTED RNA POLYMERASE, SECRETED, SERINE PROTEASE, SH3-BINDING, THIOL PROTEASE, TRANSCRIPTION, TRANSCRIPTION REGULATION, TRANSFERASE, TRANSMEMBRANE, UBL CONJUGATION, VIRAL NUCLEOPROTEIN, VIRION, ZINC, TRANSFERASE-TRANSFERASE inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.1700 Å )
Citation :

Structure-Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors.

Yeung, K.S.,Beno, B.R.,Mosure, K.  et al.
(2018)  ACS Med Chem Lett  9 : 1217 - 1222

PubMed: 30613329
DOI: 10.1021/acsmedchemlett.8b00379

Reaction

Chain : A
UniProt : R9THT8 (R9THT8_9HEPC)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + phosphate + H(+) 3.6.4.13 ARBA:ARBA00047984
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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 ARBA:ARBA00001117
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a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'- diphosphate + phosphate + H(+) 3.6.1.15 ARBA:ARBA00047631
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Cofactor: Evidence: Note:
Mg(2+) ECO:0000256 | ARBA:ARBA00001946
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Zn(2+) ECO:0000256 | ARBA:ARBA00001947
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