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Bromine in PDB 5s1w: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z838838708

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z838838708

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z838838708:
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 Z838838708, PDB code: 5s1w 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) 88.31 / 1.14
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.315, 88.315, 39.094, 90, 90, 90
R / Rfree (%) 16.8 / 20.4

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 Z838838708 (pdb code 5s1w). 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 Z838838708, PDB code: 5s1w:

Bromine binding site 1 out of 1 in 5s1w

Go back to Bromine Binding Sites List in 5s1w
Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with Z838838708


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 Z838838708 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:131.2
occ:0.93
 BR A:WQV201 0.0 131.2 0.9
C4 A:WQV201 1.9 99.8 0.9
C5 A:WQV201 2.8 98.8 0.9
C3 A:WQV201 2.9 91.9 0.9
O A:HOH464 3.2 32.2 1.0
O A:HOH434 3.2 24.8 1.0
O A:HOH413 3.4 18.2 1.0
O A:HOH479 3.7 34.1 1.0
CG2 A:VAL49 3.9 14.5 1.0
N1 A:WQV201 4.1 90.9 0.9
C2 A:WQV201 4.1 84.5 0.9
N A:VAL49 4.4 13.0 1.0
CB A:PHE156 4.4 20.4 1.0
O A:HOH419 4.5 21.1 1.0
O A:HOH472 4.6 35.1 1.0
C6 A:WQV201 4.7 86.3 0.9
O A:HOH431 4.7 13.6 1.0
C A:GLY48 4.8 13.4 1.0
CD2 A:PHE156 4.8 21.8 1.0
CA A:GLY48 4.8 13.8 1.0
CG A:PHE156 4.9 21.5 1.0
CA A:VAL49 5.0 13.2 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: Sun Jan 24 08:30:37 2021

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