1VBA

POLIOVIRUS (TYPE 3, SABIN STRAIN) (P3/SABIN, P3/LEON/12A(1)B) COMPLEXED WITH R78206


Experimental Data Snapshot

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Work: 0.297 

wwPDB Validation   3D Report Full Report


This is version 1.2 of the entry. See complete history


Literature

Structures of poliovirus complexes with anti-viral drugs: implications for viral stability and drug design.

Grant, R.A.Hiremath, C.N.Filman, D.J.Syed, R.Andries, K.Hogle, J.M.

(1994) Curr Biol 4: 784-797

  • DOI: https://doi.org/10.1016/s0960-9822(00)00176-7
  • Primary Citation of Related Structures:  
    1VBA, 1VBB, 1VBC, 1VBD, 1VBE

  • PubMed Abstract: 

    Picornaviruses, such as the structurally related polioviruses and rhinoviruses, are important human pathogens which have been the target of major drug development efforts. Receptor-mediated uncoating and thermal inactivation of poliovirus and rhinovirus are inhibited by agents that bind to each virus by inserting into a pocket in the beta barrel of the viral capsid protein, VP1. This pocket, which is normally empty in human rhinovirus-14 (HRV14), is occupied by an unknown natural ligand in poliovirus. Structural studies of HRV14-drug complexes have shown that drug binding causes large, localized changes in the conformation of VP1.


  • Organizational Affiliation

    Department of Biological Chemistry and Molecular Pharmacology, Harvard Medical School, Boston, Massachusetts 02115.


Macromolecules

Find similar proteins by:  Sequence   |   3D Structure  

Entity ID: 1
MoleculeChains Sequence LengthOrganismDetailsImage
POLIOVIRUS TYPE 3A [auth 0]4Poliovirus type 3 (strains P3/LEON/37 AND P3/LEON 12A[1]B)Mutation(s): 0 
Sequence Annotations
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  • Reference Sequence
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Entity ID: 2
MoleculeChains Sequence LengthOrganismDetailsImage
POLIOVIRUS TYPE 3B [auth 1]300Poliovirus type 3 (strains P3/LEON/37 AND P3/LEON 12A[1]B)Mutation(s): 0 
UniProt
Find proteins for P03302 (Poliovirus type 3 (strains P3/Leon/37 and P3/Leon 12A[1]B))
Explore P03302 
Go to UniProtKB:  P03302
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP03302
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Entity ID: 3
MoleculeChains Sequence LengthOrganismDetailsImage
POLIOVIRUS TYPE 3C [auth 2]271Poliovirus type 3 (strains P3/LEON/37 AND P3/LEON 12A[1]B)Mutation(s): 0 
UniProt
Find proteins for P03302 (Poliovirus type 3 (strains P3/Leon/37 and P3/Leon 12A[1]B))
Explore P03302 
Go to UniProtKB:  P03302
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP03302
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Entity ID: 4
MoleculeChains Sequence LengthOrganismDetailsImage
POLIOVIRUS TYPE 3D [auth 3]235Poliovirus type 3 (strains P3/LEON/37 AND P3/LEON 12A[1]B)Mutation(s): 0 
UniProt
Find proteins for P03302 (Poliovirus type 3 (strains P3/Leon/37 and P3/Leon 12A[1]B))
Explore P03302 
Go to UniProtKB:  P03302
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP03302
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Entity ID: 5
MoleculeChains Sequence LengthOrganismDetailsImage
POLIOVIRUS TYPE 3E [auth 4]68Poliovirus type 3 (strains P3/LEON/37 AND P3/LEON 12A[1]B)Mutation(s): 0 
UniProt
Find proteins for P03302 (Poliovirus type 3 (strains P3/Leon/37 and P3/Leon 12A[1]B))
Explore P03302 
Go to UniProtKB:  P03302
Entity Groups  
Sequence Clusters30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity
UniProt GroupP03302
Sequence Annotations
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  • Reference Sequence
Small Molecules
Ligands 2 Unique
IDChains Name / Formula / InChI Key2D Diagram3D Interactions
J78
Query on J78

Download Ideal Coordinates CCD File 
F [auth 1](METHYLPYRIDAZINE PIPERIDINE PROPYLOXYPHENYL)ETHYLACETATE
C22 H29 N3 O3
UEIUDEUUVLYRFV-UHFFFAOYSA-N
MYR
Query on MYR

Download Ideal Coordinates CCD File 
G [auth 4]MYRISTIC ACID
C14 H28 O2
TUNFSRHWOTWDNC-UHFFFAOYSA-N
Experimental Data & Validation

Experimental Data

  • Method: X-RAY DIFFRACTION
  • Resolution: 2.90 Å
  • R-Value Work: 0.297 
  • Space Group: I 2 2 2
Unit Cell:
Length ( Å )Angle ( ˚ )
a = 321.06α = 90
b = 358.62β = 90
c = 381.82γ = 90
Software Package:
Software NamePurpose
X-PLORmodel building
X-PLORrefinement
X-PLORphasing

Structure Validation

View Full Validation Report



Entry History 

Deposition Data

Revision History  (Full details and data files)

  • Version 1.0: 1996-07-11
    Type: Initial release
  • Version 1.1: 2008-03-24
    Changes: Version format compliance
  • Version 1.2: 2011-07-13
    Changes: Version format compliance