4Y2A

Crystal Structure of Coxsackie Virus B3 3D polymerase in complex with GPC-N114 inhibitor

Summary for 4Y2A

Descriptor3D polymerase, 2,2'-[(4-chlorobenzene-1,2-diyl)bis(oxy)]bis(5-nitrobenzonitrile), SULFATE ION, ... (5 entities in total)
Functional Keywordspolymerase, picornavirus, coxsackievirus, gpc-n114, inhibitor, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological sourceCoxsackievirus B3
Cellular locationCapsid protein VP0: Virion . Capsid protein VP4: Virion . Capsid protein VP2: Virion . Capsid protein VP3: Virion . Capsid protein VP1: Virion . Protein 2B: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 2C: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3A: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Protein 3AB: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . Viral protein genome-linked: Virion . Protease 3C: Host cytoplasm . Protein 3CD: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side . RNA-directed RNA polymerase: Host cytoplasmic vesicle membrane ; Peripheral membrane protein ; Cytoplasmic side  P03313
Total number of polymer chains1
Total molecular weight54287.03
Authors
Vives-Adrian, L.,Ferrer-Orta, C.,Verdaguer, N. (deposition date: 2015-02-09, release date: 2015-04-01, Last modification date: 2015-04-08)
Primary citation
van der Linden, L.,Vives-Adrian, L.,Selisko, B.,Ferrer-Orta, C.,Liu, X.,Lanke, K.,Ulferts, R.,De Palma, A.M.,Tanchis, F.,Goris, N.,Lefebvre, D.,De Clercq, K.,Leyssen, P.,Lacroix, C.,Purstinger, G.,Coutard, B.,Canard, B.,Boehr, D.D.,Arnold, J.J.,Cameron, C.E.,Verdaguer, N.,Neyts, J.,van Kuppeveld, F.J.
The RNA Template Channel of the RNA-Dependent RNA Polymerase as a Target for Development of Antiviral Therapy of Multiple Genera within a Virus Family.
Plos Pathog., 11:e1004733-e1004733, 2015
PubMed: 25799064 (PDB entries with the same primary citation)
DOI: 10.1371/journal.ppat.1004733
MImport into Mendeley
Experimental method
X-RAY DIFFRACTION (2.9 Å)
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Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers 0.2016 0.6% 7.9%0MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution
Download full validation reportDownload
170172
PDB entries from 2020-10-21