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Bromine in PDB 5s1c: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507:
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 Z3034471507, PDB code: 5s1c 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) 88.36 / 1.17
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.36, 88.36, 39.153, 90, 90, 90
R / Rfree (%) 16.6 / 20.2

Bromine Binding Sites:

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507 (pdb code 5s1c). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507, PDB code: 5s1c:

Bromine binding site 1 out of 1 in 5s1c

Go back to Bromine Binding Sites List in 5s1c
Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z3034471507 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:69.7
occ:0.82
 BR A:WPV201 0.0 69.7 0.8
C3 A:WPV201 1.9 66.7 0.8
C2 A:WPV201 2.8 66.1 0.8
C4 A:WPV201 2.8 67.3 0.8
O A:HOH372 3.3 17.5 1.0
CB A:PHE156 3.9 19.6 1.0
CG A:PHE156 4.0 20.7 1.0
N1 A:WPV201 4.1 65.4 0.8
C1 A:WPV201 4.1 65.7 0.8
CD1 A:PHE156 4.2 21.4 1.0
CG2 A:ILE23 4.2 17.2 1.0
O A:HOH487 4.3 45.1 1.0
OD1 A:ASP22 4.3 20.5 1.0
O A:HOH360 4.4 25.4 1.0
CG2 A:VAL49 4.4 14.5 1.0
O A:HOH432 4.5 17.7 1.0
CD2 A:PHE156 4.5 21.0 1.0
N A:ILE23 4.5 17.4 1.0
C5 A:WPV201 4.6 65.2 0.8
CB A:ALA52 4.6 13.7 1.0
CA A:VAL49 4.7 14.0 1.0
CG A:ASP22 4.8 20.2 1.0
CE1 A:PHE156 4.9 22.4 1.0
CA A:ASP22 4.9 18.1 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 Jul 11 00:52:41 2024

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