6URV

Crystal structure of Yellow Fever Virus NS2B-NS3 protease domain

Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.268 
  • R-Value Work: 0.252 
  • R-Value Observed: 0.253 

wwPDB Validation   3D Report Full Report


This is version 1.4 of the entry. See complete history. 


Literature

Structural characterization and polymorphism analysis of the NS2B-NS3 protease from the 2017 Brazilian circulating strain of Yellow Fever virus.

Noske, G.D., Gawriljuk, V.O., Fernandes, R.S., Furtado, N.D., Bonaldo, M.C., Oliva, G., Godoy, A.S.

(2020) Biochim Biophys Acta Gen Subj 1864: 129521-129521

  • DOI: https://doi.org/10.1016/j.bbagen.2020.129521
  • Primary Citation of Related Structures:  
    6URV

  • PubMed Abstract: 

    The Yellow Fever virus (YFV) is transmitted by mosquitos and causes an infection with symptoms including fever, headaches and nausea. In 20-50% of the cases, the disease may evolve to a visceral stage, reaching high mortality rates. YFV NS2B-NS3 protease has been identified as an important drug target.

    • Organizational Affiliation: 

    Physics Institute of Sao Carlos, University of Sao Paulo, Av. Joao Dagnone, 1100 - Jardim Santa Angelina, São Carlos 13563-120, Brazil.


Macromolecules
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Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
NS2BA,
C [auth G],
D [auth E],
F [auth C]		57Yellow fever virusMutation(s): 0 
UniProt
Find proteins for A0A1W6I1A1 (Yellow fever virus)
Explore A0A1W6I1A1 
Go to UniProtKB:  A0A1W6I1A1
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0A1W6I1A1
Sequence Annotations
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  • Reference Sequence
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(by identity cutoff)  |  3D Structure
Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
NS3 proteaseB [auth H],
E [auth F],
G [auth D],
H [auth B]		171Yellow fever virusMutation(s): 0 
UniProt
Find proteins for A0A1W6I1A1 (Yellow fever virus)
Explore A0A1W6I1A1 
Go to UniProtKB:  A0A1W6I1A1
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupA0A1W6I1A1
Sequence Annotations
Expand
  • Reference Sequence
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Free: 0.268 
  • R-Value Work: 0.252 
  • R-Value Observed: 0.253 
  • Space Group: P 1 21 1
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 60.019α = 90
b = 151.67β = 111.268
c = 60.255γ = 90
Software Package:
Software NamePurpose
PHENIXrefinement
PHENIXrefinement
XDSdata reduction
Aimlessdata scaling
PHASERphasing

Structure Validation

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Entry History & Funding Information

Deposition Data

Funding OrganizationLocationGrant Number
Sao Paulo Research Foundation (FAPESP)Brazil2013/07600-3

Revision History  (Full details and data files)

  • Version 1.0: 2020-01-22
    Type: Initial release
  • Version 1.1: 2020-01-29
    Changes: Database references
  • Version 1.2: 2020-02-05
    Changes: Database references
  • Version 1.3: 2023-10-04
    Changes: Data collection, Database references
  • Version 1.4: 2023-10-11
    Changes: Refinement description