Bromine in PDB 6xtd: RHS1-Ct in Complex with Cognate Immunity Protein RHSI1

The structure of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1, PDB code: 6xtd was solved by M.R.Hagan, B.Hunter, S.Coulthurst, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.42 / 1.30
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.655, 44.108, 46.807, 101.2, 96.13, 114.15
R / Rfree (%)	12.1 / 16.5

The binding sites of Bromine atom in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 (pdb code 6xtd). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1, PDB code: 6xtd:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1501 b:24.4 occ:0.50 O A:HOH1780 3.0 40.2 1.0 NE2 A:GLN1352 3.2 22.9 1.0 N B:VAL95 3.4 15.1 1.0 O B:HOH424 3.5 28.3 1.0 CB B:LYS94 3.7 25.5 1.0 CG2 B:VAL95 3.8 18.2 1.0 CG A:GLN1352 3.9 19.7 1.0 CA B:LYS94 3.9 19.7 1.0 CB B:VAL95 4.0 14.4 1.0 CD A:GLN1352 4.0 20.1 1.0 C B:LYS94 4.1 14.8 1.0 O B:HOH495 4.2 55.3 1.0 CA B:VAL95 4.3 15.2 1.0 CG B:LYS94 4.3 34.8 1.0 CD B:LYS94 4.7 45.3 1.0 O A:HOH1719 4.8 33.1 1.0

Bromine binding site 2 out of 6 in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1502 b:44.9 occ:0.60 O A:HOH1774 3.3 53.8 1.0 O B:HOH323 3.5 28.0 1.0 CA A:ASP1441 3.5 13.8 0.5 CA A:ASP1441 3.5 13.7 0.5 O A:HOH1711 3.6 32.4 1.0 CD2 B:HIS146 3.6 37.7 1.0 N A:ASP1441 3.8 13.1 1.0 OD1 A:ASP1441 3.8 18.6 0.5 CB A:ASP1441 3.9 14.8 0.5 CB A:ASP1441 3.9 16.0 0.5 O A:HOH1712 4.2 35.5 1.0 C A:GLN1440 4.2 13.8 1.0 CD A:PRO1442 4.3 16.6 1.0 OE1 B:GLU150 4.3 38.7 0.5 O A:HOH1702 4.3 48.2 1.0 CG A:ASP1441 4.4 19.5 0.5 CG A:ASP1441 4.4 14.6 0.5 O A:GLN1440 4.4 14.9 1.0 NE2 B:HIS146 4.5 43.2 1.0 O A:SER1439 4.5 16.4 1.0 CG B:HIS146 4.6 33.7 1.0 OD1 A:ASP1441 4.6 18.9 0.5 C A:ASP1441 4.8 13.8 1.0 OE2 B:GLU150 4.8 24.1 0.5 CB B:HIS146 4.9 26.1 1.0 CD B:GLU150 5.0 26.1 0.5 N A:PRO1442 5.0 13.4 1.0 OD2 A:ASP1441 5.0 18.8 0.5

Bromine binding site 3 out of 6 in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br201 b:29.8 occ:0.75 OD1 B:ASP149 2.5 30.5 0.5 O B:HOH437 3.1 34.9 1.0 CG B:ASP149 3.7 22.9 0.5 NZ B:LYS153 3.9 50.1 1.0 CB B:ARG152 3.9 16.5 1.0 CB B:ASP149 3.9 15.8 0.5 CA B:ASP149 4.0 14.8 0.5 CD B:ARG152 4.0 20.8 1.0 CA B:ASP149 4.1 15.7 0.5 O B:ASP149 4.1 16.1 1.0 CG B:LYS153 4.3 19.2 1.0 CB B:ASP149 4.4 19.2 0.5 O B:HOH481 4.5 56.6 1.0 CE B:LYS153 4.6 36.3 1.0 CG B:ARG152 4.6 17.2 1.0 OD2 B:ASP149 4.6 31.8 0.5 C B:ASP149 4.6 15.4 1.0 CD B:LYS153 4.8 27.0 1.0 N B:LYS153 4.9 15.0 1.0

Bromine binding site 4 out of 6 in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br202 b:43.6 occ:0.65 O B:HOH493 2.8 42.6 1.0 O B:HOH503 2.9 56.7 1.0 O B:HOH380 3.3 49.1 1.0 CB B:ALA58 3.7 20.7 1.0 CA B:ALA58 4.0 17.9 1.0 CD2 B:LEU87 4.1 17.8 1.0 CE B:LYS57 4.4 41.5 1.0 CG B:LEU87 4.5 14.9 1.0 N B:ALA58 4.5 17.5 1.0 CG B:LYS57 4.6 24.8 1.0 CB B:LYS86 4.6 22.5 1.0 NZ B:LYS86 4.6 50.7 1.0 O B:LYS57 4.7 18.5 1.0 CD1 B:LEU87 4.7 17.8 1.0 C B:LYS57 4.7 18.0 1.0 CD B:LYS86 4.8 38.3 1.0 CD B:LYS57 4.8 33.5 1.0 O B:HOH469 4.9 35.1 1.0

Bromine binding site 5 out of 6 in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br203 b:34.0 occ:0.45 O B:HIS146 3.0 27.2 1.0 O B:HOH472 3.3 40.5 1.0 C B:HIS146 3.3 20.0 1.0 NH2 B:ARG142 3.4 21.9 1.0 O B:HOH345 3.5 35.4 1.0 NH1 B:ARG142 3.6 20.3 1.0 O B:PHE145 3.6 19.3 1.0 CA B:THR147 3.6 16.1 1.0 N B:THR147 3.6 15.8 1.0 C B:THR147 3.7 16.8 1.0 O B:HOH329 3.8 41.1 1.0 N B:GLU148 3.8 15.7 1.0 CZ B:ARG142 3.9 18.4 1.0 CA B:HIS146 4.2 19.6 1.0 O B:THR147 4.3 15.0 1.0 C B:PHE145 4.5 16.6 1.0 CA B:GLU148 4.7 15.3 1.0 N B:HIS146 4.8 16.0 1.0 O B:HOH457 4.9 49.9 1.0 O B:HOH474 4.9 40.1 1.0

Bromine binding site 6 out of 6 in the RHS1-Ct in Complex with Cognate Immunity Protein RHSI1


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Br204 b:41.1 occ:0.60 O B:HOH440 2.4 33.9 1.0 O B:HOH494 2.8 50.0 1.0 O B:HOH441 3.2 22.9 1.0 N B:LYS93 3.2 19.2 1.0 N B:LYS94 3.4 19.0 1.0 CG B:GLN92 3.7 14.7 1.0 O B:GLU96 3.8 21.3 1.0 CA B:LYS93 3.9 20.6 0.5 CA B:LYS93 3.9 18.6 0.5 CB B:LYS93 4.0 21.9 0.5 CA B:GLY97 4.1 16.7 1.0 CB B:LYS94 4.1 25.5 1.0 C B:GLN92 4.1 16.8 1.0 CB B:LYS93 4.1 19.2 0.5 C B:LYS93 4.1 21.5 1.0 CG B:LYS94 4.1 34.8 1.0 CA B:GLN92 4.2 17.5 1.0 CA B:LYS94 4.2 19.7 1.0 O B:LYS94 4.5 16.4 1.0 CB B:GLN92 4.6 15.2 1.0 CG B:LYS93 4.6 26.6 0.5 C B:GLU96 4.7 19.4 1.0 C B:LYS94 4.8 14.8 1.0 N B:GLY97 4.8 16.3 1.0 CD B:GLN92 4.8 15.0 1.0 CD B:LYS94 4.8 45.3 1.0

M.Hagan, S.Coulthurst. RHS1-Ct in Complex with Cognate Immunity Protein RHSI1 To Be Published.