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Fluorine in PDB 7hol: Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679:
3.4.21.91; 3.6.1.15; 3.6.4.13;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679, PDB code: 7hol was solved by X.Ni, P.G.Marples, A.S.Godoy, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, M.Fairhead, R.M.Lithgo, A.Lee, N.Kenton, W.Thompson, C.W.E.Tomlinson, C.Wild, M.Winokan, E.P.Williams, A.V.Chandran, M.A.Walsh, D.Fearon, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.67 / 1.32
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.551, 42.551, 216.797, 90, 90, 90
R / Rfree (%) 21.9 / 23.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679 (pdb code 7hol). 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 Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679, PDB code: 7hol:

Fluorine binding site 1 out of 1 in 7hol

Go back to Fluorine Binding Sites List in 7hol
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z1619958679 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F203

b:62.5
occ:0.69
 F1 B:ZUC203 0.0 62.5 0.7
C13 B:ZUC203 1.4 61.7 0.7
C12 B:ZUC203 2.3 61.6 0.7
C9 B:ZUC203 2.4 61.2 0.7
N1 B:ZUC203 2.9 59.8 0.7
C8 B:ZUC203 2.9 60.4 0.7
C1 B:ZUC203 3.4 60.0 0.7
CD1 B:TYR161 3.5 41.6 1.0
N2 B:ZUC203 3.6 61.5 0.7
C10 B:ZUC203 3.6 61.5 0.7
CG B:TYR161 3.8 41.2 1.0
CB B:TYR161 3.8 42.9 1.0
C7 B:ZUC203 3.9 59.6 0.7
O2 B:ZUC203 3.9 60.2 0.7
C11 B:ZUC203 4.0 61.6 0.7
C2 B:ZUC203 4.1 59.7 0.7
CG2 B:VAL155 4.2 50.5 1.0
CE1 B:TYR161 4.2 41.4 1.0
CD2 B:TYR161 4.8 40.9 1.0
CA B:TYR161 4.8 44.3 1.0

Reference:

X.Ni, P.G.Marples, A.S.Godoy, L.Koekemoer, J.C.Aschenbrenner, B.H.Balcomb, M.Fairhead, R.M.Lithgo, A.Lee, N.Kenton, W.Thompson, C.W.E.Tomlinson, C.Wild, M.Winokan, E.P.Williams, A.V.Chandran, M.A.Walsh, D.Fearon, F.Von Delft. Pandda Analysis Group Deposition To Be Published.
Page generated: Tue Jul 15 20:24:19 2025

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