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Fluorine in PDB 7h2l: Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z19755216

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z19755216

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z19755216:
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 Z19755216, PDB code: 7h2l was solved by X.Ni, A.S.Godoy, P.G.Marples, M.Fairhead, B.H.Balcomb, C.W.E.Tomlinson, L.Koekemoer, J.C.Aschenbrenner, R.M.Lithgo, W.Thompson, C.Wild, E.P.Williams, M.Winokan, A.V.Chandran, D.Fearon, M.A.Walsh, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.77 / 1.37
Space group P 43 2 2
Cell size a, b, c (Å), α, β, γ (°) 42.441, 42.441, 217.401, 90, 90, 90
R / Rfree (%) 22.1 / 23.8

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 Z19755216 (pdb code 7h2l). 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 Z19755216, PDB code: 7h2l:

Fluorine binding site 1 out of 1 in 7h2l

Go back to Fluorine Binding Sites List in 7h2l
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Zikv NS2B-NS3 Protease in Complex with Z19755216


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 Z19755216 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F203

b:52.1
occ:0.78
 F B:TT3203 0.0 52.1 0.8
C8 B:TT3203 1.4 53.2 0.8
C7 B:TT3203 2.3 53.8 0.8
C9 B:TT3203 2.3 52.9 0.8
OG B:SER135 3.2 35.2 1.0
O B:GLY151 3.3 35.7 1.0
C6 B:TT3203 3.6 54.1 0.8
C4 B:TT3203 3.6 54.3 0.8
O B:HOH338 3.6 41.4 1.0
O B:HOH399 3.7 59.9 1.0
OH B:TYR161 3.9 42.7 1.0
O B:HOH326 3.9 39.6 1.0
C5 B:TT3203 4.1 54.9 0.8
CA B:ALA132 4.2 35.0 1.0
NE2 B:HIS51 4.2 32.8 1.0
C B:GLY151 4.2 33.7 1.0
O B:ALA132 4.3 32.8 1.0
CB B:ALA132 4.3 35.7 1.0
CZ B:TYR161 4.5 43.1 1.0
CA B:GLY151 4.5 32.5 1.0
CB B:SER135 4.6 32.0 1.0
O1 B:TT3203 4.7 55.2 0.8
CE1 B:HIS51 4.7 34.1 1.0
C B:ALA132 4.8 34.0 1.0
CE1 B:TYR161 4.8 43.0 1.0

Reference:

X.Ni, A.S.Godoy, P.G.Marples, M.Fairhead, B.H.Balcomb, C.W.E.Tomlinson, L.Koekemoer, J.C.Aschenbrenner, R.M.Lithgo, W.Thompson, C.Wild, E.P.Williams, M.Winokan, A.V.Chandran, D.Fearon, M.A.Walsh, F.Von Delft. Pandda Analysis Group Deposition of Zikv NS2B-NS3 Protease To Be Published.
Page generated: Fri Aug 2 07:47:24 2024

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