Bromine in PDB 6k5a: Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr

The structure of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr, PDB code: 6k5a was solved by K.Park, H.H.Lim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.69 / 3.16
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	232.184, 101.338, 172.074, 90.00, 132.10, 90.00
R / Rfree (%)	22.2 / 27.6

The binding sites of Bromine atom in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr (pdb code 6k5a). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr, PDB code: 6k5a:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:0.3 occ:1.00 N A:ILE356 2.9 0.4 1.0 OG A:SER107 2.9 0.3 1.0 OH A:TYR445 3.0 0.4 1.0 OD1 A:ASP148 3.1 0.6 1.0 CA A:GLY355 3.1 0.6 1.0 C A:GLY355 3.5 1.0 1.0 N A:PHE357 3.7 0.2 1.0 CA A:GLY149 3.8 0.6 1.0 CB A:SER107 3.8 0.4 1.0 N A:GLY149 3.9 0.2 1.0 CA A:ILE356 4.0 0.6 1.0 CZ A:TYR445 4.0 0.8 1.0 CG2 A:ILE356 4.0 0.8 1.0 CD1 A:ILE109 4.1 0.5 1.0 CB A:PHE357 4.2 0.4 1.0 CG A:ASP148 4.2 0.1 1.0 CE1 A:TYR445 4.3 0.8 1.0 CB A:ILE356 4.4 0.5 1.0 C A:ILE356 4.4 0.1 1.0 N A:GLY355 4.4 0.2 1.0 CD1 A:PHE357 4.5 0.5 1.0 CG1 A:ILE109 4.6 0.3 1.0 CA A:SER107 4.6 0.4 1.0 CA A:PHE357 4.6 0.8 1.0 O A:GLY355 4.8 0.4 1.0 CG A:PHE357 4.8 0.9 1.0 C A:ASP148 4.9 0.9 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:0.0 occ:1.00 N A:SER107 3.0 0.9 1.0 CB A:SER107 3.5 0.4 1.0 CA A:SER107 3.7 0.4 1.0 CD1 A:ILE448 3.9 0.0 1.0 C A:GLY106 4.0 0.8 1.0 CA A:GLY106 4.0 0.7 1.0 CZ A:PHE348 4.0 94.7 1.0 CG A:PRO110 4.1 0.2 1.0 N A:GLY108 4.1 0.4 1.0 CD A:PRO110 4.2 0.7 1.0 CG2 A:ILE448 4.3 0.4 1.0 O A:GLY105 4.4 0.9 1.0 CE1 A:PHE348 4.5 0.7 1.0 C A:SER107 4.5 0.2 1.0 OG A:SER107 4.7 0.3 1.0 CE2 A:PHE348 4.9 0.6 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:0.1 occ:1.00 OH B:TYR445 2.3 0.8 1.0 N B:ILE356 2.4 0.4 1.0 CA B:GLY355 2.9 0.4 1.0 OG B:SER107 3.0 0.8 1.0 C B:GLY355 3.1 0.2 1.0 OD1 B:ASP148 3.3 0.9 1.0 N B:PHE357 3.4 0.4 1.0 CA B:ILE356 3.4 0.3 1.0 CG2 B:ILE356 3.5 0.2 1.0 CZ B:TYR445 3.6 0.4 1.0 C B:ILE356 3.8 0.4 1.0 CB B:SER107 3.9 0.1 1.0 CB B:ILE356 3.9 0.3 1.0 CE1 B:TYR445 4.2 0.8 1.0 N B:GLY355 4.3 0.2 1.0 O B:GLY355 4.3 0.8 1.0 CB B:PHE357 4.3 0.8 1.0 CA B:PHE357 4.4 0.3 1.0 CG B:ASP148 4.4 0.3 1.0 CZ B:PHE348 4.6 0.4 1.0 CE1 B:PHE348 4.7 0.9 1.0 CE2 B:TYR445 4.7 0.3 1.0 N B:GLY149 4.7 0.6 1.0 CA B:SER107 4.8 0.7 1.0 O B:ILE356 4.8 0.8 1.0 CA B:GLY149 4.9 0.6 1.0 OD2 B:ASP148 5.0 0.6 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the E148D/R147A/F317A Mutant in Presence of 200 Mm Nabr within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:0.1 occ:1.00 N B:SER107 3.3 0.7 1.0 CD1 B:ILE448 3.6 0.5 1.0 CG B:PRO110 3.6 0.2 1.0 CB B:SER107 3.6 0.1 1.0 CD B:PRO110 3.7 0.5 1.0 N B:GLY108 3.8 0.3 1.0 CA B:SER107 4.0 0.7 1.0 CZ B:PHE348 4.0 0.4 1.0 OG B:SER107 4.1 0.8 1.0 CG2 B:ILE448 4.2 0.0 1.0 C B:GLY106 4.3 0.0 1.0 C B:SER107 4.4 0.0 1.0 CA B:GLY106 4.4 0.8 1.0 CE1 B:PHE348 4.5 0.9 1.0 CB B:PRO110 4.6 0.7 1.0 O B:GLY105 4.8 0.8 1.0 CA B:GLY108 4.8 0.8 1.0 CG1 B:ILE448 4.8 0.1 1.0 CE2 B:PHE348 4.8 0.8 1.0

K.Park, B.C.Lee, H.H.Lim. Mutation of External Glutamate Residue Reveals A New Intermediate Transport State and Anion Binding Site in A Clc Cl-/H+Antiporter. Proc.Natl.Acad.Sci.Usa V. 116 17345 2019.
ISSN: ESSN 1091-6490
PubMed: 31409705
DOI: 10.1073/PNAS.1901822116