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Fluorine in PDB 5s29: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602:
2.7.7.48; 3.4.19.12; 3.4.22.69; 3.6.4.12; 3.6.4.13;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602, PDB code: 5s29 was solved by D.Fearon, M.Schuller, V.L.Rangel, A.Douangamath, J.G.M.Rack, K.Zhu, A.Aimon, J.Brandao-Neto, A.Dias, L.Dunnet, T.J.Gorrie-Stone, A.J.Powell, T.Krojer, R.Skyner, W.Thompson, I.Ahel, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 88.41 / 1.30
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.405, 88.405, 39.176, 90, 90, 90
R / Rfree (%) 17.8 / 22.2

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602 (pdb code 5s29). 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 Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602, PDB code: 5s29:

Fluorine binding site 1 out of 1 in 5s29

Go back to Fluorine Binding Sites List in 5s29
Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602


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 Sars-Cov-2 NSP3 Macrodomain in Complex with Z199959602 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F201

b:22.5
occ:0.63
 F A:WRY201 0.0 22.5 0.6
C4 A:WRY201 1.4 21.5 0.6
C3 A:WRY201 2.3 21.8 0.6
C5 A:WRY201 2.3 21.7 0.6
O A:HOH465 2.8 30.0 1.0
CG2 A:VAL49 3.5 15.6 1.0
C6 A:WRY201 3.6 21.5 0.6
C2 A:WRY201 3.6 21.7 0.6
N A:VAL49 3.6 15.3 1.0
C A:GLY48 3.8 15.5 1.0
O A:HOH304 3.9 30.0 1.0
O A:HOH430 4.0 19.4 1.0
O A:HOH398 4.0 18.3 1.0
CA A:VAL49 4.1 15.4 1.0
C7 A:WRY201 4.1 21.7 0.6
CA A:GLY48 4.2 16.0 1.0
O A:GLY48 4.3 15.7 1.0
CB A:VAL49 4.5 15.5 1.0
CB A:PHE156 4.5 24.3 1.0
CD2 A:PHE156 4.6 25.3 1.0
N A:WRY201 4.7 21.8 0.6
CG A:PHE156 4.7 25.2 1.0
O A:HOH421 4.9 15.5 1.0
O A:HOH367 5.0 18.6 1.0

Reference:

D.Fearon, M.Schuller, V.L.Rangel, A.Douangamath, A.Aimon, A.J.Powell, A.Dias, L.Dunnet, J.Brandao-Neto, R.Skyner, T.J.Gorrie-Stone, W.Thompson, T.Krojer, J.G.M.Rack, K.Zhu, I.Ahel, F.Von Delft. Pandda Analysis Group Deposition To Be Published.
Page generated: Thu Aug 1 14:05:20 2024

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