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Bromine in PDB 5ss1: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCOU000000A2HM

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCOU000000A2HM

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCOU000000A2HM:
3.4.19.121;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCOU000000A2HM, PDB code: 5ss1 was solved by G.J.Correy, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.63 / 1.15
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.626, 88.626, 39.021, 90, 90, 90
R / Rfree (%) 16.1 / 18.7

Other elements in 5ss1:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCOU000000A2HM also contains other interesting chemical elements:

Fluorine (F) 1 atom

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 ZINCOU000000A2HM (pdb code 5ss1). 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 ZINCOU000000A2HM, PDB code: 5ss1:

Bromine binding site 1 out of 1 in 5ss1

Go back to Bromine Binding Sites List in 5ss1
Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCOU000000A2HM


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 ZINCOU000000A2HM within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br201

b:70.2
occ:0.76
 BR24 A:RJS201 0.0 70.2 0.8
O A:HOH457 1.5 37.8 0.2
C23 A:RJS201 1.9 63.9 0.8
O A:HOH478 1.9 26.7 0.2
C22 A:RJS201 2.9 60.7 0.8
C02 A:RJS201 2.9 60.3 0.8
H221 A:RJS201 3.0 72.8 0.8
HB2 A:ASP157 3.1 29.1 0.8
F01 A:RJS201 3.1 59.9 0.8
HB2 A:ASP157 3.2 29.4 0.2
O A:HOH304 3.3 43.4 1.0
OD1 A:ASP157 3.7 29.3 0.8
O A:HOH480 3.9 37.3 0.2
CB A:ASP157 3.9 24.2 0.8
CB A:ASP157 4.0 24.6 0.2
CG A:ASP157 4.0 26.5 0.8
CG A:ASP157 4.2 25.3 0.2
C21 A:RJS201 4.2 57.1 0.8
C03 A:RJS201 4.2 57.1 0.8
OD1 A:ASP157 4.2 25.9 0.2
O A:HOH483 4.3 20.2 0.2
HB3 A:ASP157 4.3 29.4 0.2
HB3 A:ASP157 4.3 29.1 0.8
HD2 A:PHE156 4.3 35.9 0.8
O A:HOH427 4.6 26.2 0.2
HD2 A:PHE156 4.6 29.4 0.2
C04 A:RJS201 4.7 53.9 0.8
OD2 A:ASP157 4.7 25.0 0.2
HB3 A:PHE156 4.8 31.6 0.8
OD2 A:ASP157 4.9 27.1 0.8
HA A:ASP157 5.0 26.3 0.8
H211 A:RJS201 5.0 68.5 0.8

Reference:

G.J.Correy, J.S.Fraser. Ligand Screen Against Sars-Cov-2 NSP3 Macrodomain To Be Published.
Page generated: Thu Jul 11 00:57:48 2024

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