Bromine in PDB 7qik: Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma

The structure of Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma, PDB code: 7qik was solved by N.N.Sluchanko, K.V.Tugaeva, J.L.R.Smith, A.A.Antson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.18 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.438, 111.274, 115.17, 90, 90, 90
R / Rfree (%)	20 / 22.6

The binding sites of Bromine atom in the Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma (pdb code 7qik). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma, PDB code: 7qik:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma within 5.0Å range: probe atom residue distance (Å) B Occ A:Br304 b:50.7 occ:1.00 NZ A:LYS9 3.2 47.7 1.0 CE A:LYS9 3.8 47.4 1.0 CD A:LYS9 3.8 45.6 1.0 CD B:LYS87 3.9 56.7 1.0 CA B:TYR84 3.9 41.8 1.0 O B:GLU83 3.9 45.6 1.0 CZ A:PHE25 4.0 39.8 1.0 N B:TYR84 4.1 43.3 1.0 C B:GLU83 4.1 45.1 1.0 CE1 A:PHE25 4.1 39.7 1.0 CD1 B:TYR84 4.2 39.9 1.0 CB B:LYS87 4.2 43.9 1.0 CB B:TYR84 4.3 41.0 1.0 CB B:GLU83 4.5 48.9 1.0 O B:HOH433 4.6 55.5 1.0 CG B:LYS87 4.6 50.3 1.0 CG B:TYR84 4.7 40.1 1.0 O A:HOH498 5.0 62.8 1.0 CG A:LYS9 5.0 43.5 1.0 CA B:GLU83 5.0 46.3 1.0

Bromine binding site 2 out of 4 in the Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma within 5.0Å range: probe atom residue distance (Å) B Occ A:Br305 b:119.5 occ:1.00 O A:HOH522 2.9 53.8 1.0 N A:GLY137 3.3 60.2 1.0 CB A:ASP139 3.5 60.9 1.0 N A:ASP139 3.6 61.0 1.0 CA A:GLY137 3.6 62.1 1.0 N A:LYS140 3.7 54.6 1.0 O A:HOH511 3.7 76.5 1.0 C A:GLY137 3.8 63.7 1.0 N A:THR136 3.8 52.6 1.0 CA A:ASP139 3.9 59.3 1.0 CB A:ALA135 3.9 46.6 1.0 O A:HOH453 4.0 74.9 1.0 C A:ASP139 4.1 57.1 1.0 O A:GLY137 4.2 63.8 1.0 CA A:ALA135 4.2 47.1 1.0 N A:ASP138 4.2 64.2 1.0 O A:HOH441 4.2 69.0 1.0 C A:THR136 4.4 58.8 1.0 C A:ALA135 4.4 49.8 1.0 CA A:LYS140 4.5 52.5 1.0 CG A:ASP139 4.5 65.2 0.5 CD1 A:ILE143 4.7 41.5 1.0 OD2 A:ASP139 4.7 67.3 0.5 C A:ASP138 4.7 63.2 1.0 CB A:LYS140 4.7 55.6 1.0 CA A:THR136 4.7 55.6 1.0

Bromine binding site 3 out of 4 in the Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:113.0 occ:1.00 O A:HOH466 3.4 49.9 1.0 O A:HOH425 3.4 51.7 1.0 NE2 A:GLN152 3.7 50.8 1.0 OE1 A:GLN152 3.9 52.1 1.0 CE A:MET155 3.9 49.3 1.0 CD A:GLN152 4.2 50.5 1.0 CG A:MET155 4.3 44.0 1.0 CB A:MET155 4.3 41.3 1.0 CE2 A:PHE176 4.4 36.0 1.0 CD1 A:LEU193 4.6 46.6 1.0 CE A:LYS159 4.8 72.0 1.0 SD A:MET155 4.8 48.6 1.0 CD2 A:PHE176 4.9 35.0 1.0

Bromine binding site 4 out of 4 in the Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma within 5.0Å range: probe atom residue distance (Å) B Occ B:Br305 b:47.8 occ:1.00 O B:HOH578 2.7 49.8 1.0 NZ B:LYS9 3.1 40.5 1.0 CE B:LYS9 3.8 40.5 1.0 CD B:LYS9 3.9 38.1 1.0 CD A:LYS87 3.9 49.5 1.0 O A:GLU83 4.0 41.5 1.0 CA A:TYR84 4.0 38.0 1.0 CZ B:PHE25 4.1 34.9 1.0 C A:GLU83 4.2 41.1 1.0 N A:TYR84 4.2 39.6 1.0 CE1 B:PHE25 4.2 35.7 1.0 CB A:LYS87 4.3 39.6 1.0 CD1 A:TYR84 4.3 35.8 1.0 CB A:TYR84 4.4 36.5 1.0 CB A:GLU83 4.5 44.7 1.0 O B:HOH561 4.5 72.4 1.0 O A:HOH445 4.6 53.6 1.0 CG A:LYS87 4.7 43.6 1.0 CG A:TYR84 4.8 35.9 1.0 SD B:MET1 4.9 58.8 1.0 CE B:MET1 4.9 57.3 1.0

N.N.Sluchanko, K.V.Tugaeva, J.L.R.Smith, A.A.Antson. Sars-Cov-2 Nucleocapsid Phosphopeptide 193-200 Bound to Human 14-3-3 Sigma To Be Published.