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Fluorine in PDB 4y34: Crystal Structure of Coxsackievirus B3 3D Polymerase in Complex with Gpc-N143

Protein crystallography data

The structure of Crystal Structure of Coxsackievirus B3 3D Polymerase in Complex with Gpc-N143, PDB code: 4y34 was solved by L.Vives-Adrian, C.Ferrer-Orta, N.Cerdaguer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.20 / 2.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 74.620, 74.620, 288.430, 90.00, 90.00, 90.00
R / Rfree (%) 20.4 / 24.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Coxsackievirus B3 3D Polymerase in Complex with Gpc-N143 (pdb code 4y34). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Coxsackievirus B3 3D Polymerase in Complex with Gpc-N143, PDB code: 4y34:

Fluorine binding site 1 out of 1 in 4y34

Go back to Fluorine Binding Sites List in 4y34
Fluorine binding site 1 out of 1 in the Crystal Structure of Coxsackievirus B3 3D Polymerase in Complex with Gpc-N143


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Coxsackievirus B3 3D Polymerase in Complex with Gpc-N143 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:0.4
occ:1.00
F A:45Z501 0.0 0.4 1.0
C11 A:45Z501 1.3 0.6 1.0
C12 A:45Z501 2.3 0.6 1.0
C10 A:45Z501 2.3 0.7 1.0
CE1 A:HIS199 2.4 45.5 1.0
NE2 A:HIS199 2.7 43.2 1.0
CB A:TYR195 3.6 46.3 1.0
ND1 A:HIS199 3.6 48.2 1.0
C9 A:45Z501 3.6 0.4 1.0
C13 A:45Z501 3.6 0.1 1.0
CG A:TYR195 3.7 45.3 1.0
CD1 A:ILE296 3.8 38.2 1.0
CD2 A:HIS199 4.0 44.7 1.0
CD2 A:TYR195 4.0 44.6 1.0
CD1 A:LEU107 4.0 51.9 1.0
C8 A:45Z501 4.1 0.9 1.0
CD1 A:TYR195 4.4 43.3 1.0
CG A:HIS199 4.4 45.9 1.0
CA A:TYR195 4.5 46.5 1.0
C15 A:45Z501 4.6 0.0 1.0
O4 A:45Z501 4.7 0.4 1.0
CG1 A:ILE296 4.8 37.5 1.0
CE2 A:TYR195 4.8 44.9 1.0
C A:TYR195 4.9 47.6 1.0
O A:TYR195 4.9 48.0 1.0

Reference:

L.Van Der Linden, L.Vives-Adrian, B.Selisko, C.Ferrer-Orta, X.Liu, K.Lanke, R.Ulferts, A.M.De Palma, F.Tanchis, N.Goris, D.Lefevbre, K.De Clercq, P.Leyssen, C.Lacroix, G.Purstinger, B.Coutard, B.Canard, D.D.Boehr, J.J.Arnold, C.E.Cameron, N.Verdaguer, J.Neyts, F.Van Kuppeveld. 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 To Be Published.
Page generated: Thu Aug 1 06:54:10 2024

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