Bromine in PDB 5yer: Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound)

The structure of Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound), PDB code: 5yer was solved by I.Jo, S.Hong, J.Ahn, N.C.Ha, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.06 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	63.142, 64.121, 100.485, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.1

The binding sites of Bromine atom in the Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound) (pdb code 5yer). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound), PDB code: 5yer:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br401 b:20.2 occ:0.43 OG A:SER110 2.8 39.4 1.0 O A:HOH520 3.0 16.8 1.0 O A:HOH526 3.2 34.2 1.0 N A:MET206 3.6 29.1 1.0 CB A:MET206 3.7 41.8 1.0 CB A:SER110 3.7 39.3 1.0 CB A:SER204 3.8 17.1 1.0 N A:TYR205 3.8 21.5 1.0 CE1 A:TYR154 3.8 28.9 1.0 CB A:TYR205 4.0 29.4 1.0 CD1 A:TYR154 4.2 28.3 1.0 OG A:SER204 4.3 22.0 1.0 CA A:TYR205 4.3 26.8 1.0 CA A:MET206 4.3 33.8 1.0 C A:SER204 4.4 21.3 1.0 C A:TYR205 4.5 28.0 1.0 CA A:SER204 4.5 21.6 1.0 CG1 A:VAL136 4.6 25.3 1.0 CD2 A:TYR205 4.6 25.1 1.0 CZ A:TYR154 4.7 32.6 1.0 CE A:MET206 4.7 50.0 1.0 N A:SER110 4.7 26.1 1.0 CG A:TYR205 4.8 29.8 1.0 CB A:ALA108 4.9 20.6 1.0 CA A:SER110 4.9 34.5 1.0 CG A:MET206 4.9 50.5 1.0 SD A:MET206 4.9 54.0 1.0

Bromine binding site 2 out of 4 in the Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound) within 5.0Å range: probe atom residue distance (Å) B Occ A:Br402 b:63.0 occ:0.42 OG1 A:THR290 3.1 28.4 1.0 CB A:THR290 3.8 26.4 1.0 CG2 A:VAL287 3.9 15.8 1.0 CG2 A:THR290 4.0 27.5 1.0 CA A:VAL287 4.1 27.1 1.0 O A:GLN286 4.2 33.2 1.0 OE1 A:GLN126 4.3 76.1 1.0 N A:VAL287 4.6 34.9 1.0 CG A:GLN286 4.6 36.3 1.0 C A:GLN286 4.6 35.6 1.0 CB A:VAL287 4.6 21.2 1.0 O A:HOH516 4.9 23.9 1.0

Bromine binding site 3 out of 4 in the Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br401 b:47.2 occ:0.54 N B:ARG168 3.4 29.6 1.0 NE2 B:GLN299 3.5 32.8 1.0 CG1 B:ILE167 3.8 42.6 1.0 CA B:ILE167 3.8 33.1 1.0 C B:ILE167 4.1 32.3 1.0 CB B:ARG168 4.2 36.2 1.0 CB B:ILE167 4.3 36.4 1.0 CA B:ARG168 4.3 29.8 1.0 CD B:GLN299 4.5 36.1 1.0 OE1 B:GLN299 4.5 38.9 1.0 O B:ARG168 4.7 22.8 1.0 O B:ASN166 4.7 38.9 1.0 N B:ILE167 4.9 30.5 1.0 CD1 B:ILE167 5.0 43.9 1.0

Bromine binding site 4 out of 4 in the Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Regulatory Domain of Hypt From Salmonella Typhimurium (Bromide Ion- Bound) within 5.0Å range: probe atom residue distance (Å) B Occ B:Br402 b:48.4 occ:0.67 OG B:SER110 3.0 42.8 1.0 N B:TYR205 3.2 40.3 1.0 N B:MET206 3.6 25.9 1.0 CB B:SER204 3.6 43.8 1.0 CG1 B:VAL136 3.7 37.1 1.0 CG B:MET206 3.9 30.6 1.0 CB B:TYR205 3.9 38.7 1.0 CA B:TYR205 4.0 37.4 1.0 CA B:SER204 4.0 45.9 1.0 C B:SER204 4.0 42.0 1.0 CB B:SER110 4.2 43.5 1.0 C B:TYR205 4.3 31.4 1.0 CE1 B:TYR154 4.4 33.5 1.0 CB B:MET206 4.4 27.4 1.0 CD1 B:TYR154 4.4 30.2 1.0 CB B:ALA108 4.5 22.9 1.0 OG B:SER204 4.5 43.5 1.0 CA B:MET206 4.6 28.0 1.0 N B:SER110 4.8 34.0 1.0

I.Jo, D.Kim, T.No, S.Hong, J.Ahn, S.Ryu, N.C.Ha. Structural Basis For Hocl Recognition and Regulation Mechanisms of Hypt, A Hypochlorite-Specific Transcriptional Regulator. Proc. Natl. Acad. Sci. V. 116 3740 2019U.S.A..
ISSN: ESSN 1091-6490
PubMed: 30733296
DOI: 10.1073/PNAS.1811509116