Bromine in PDB 4kk6: Structure of Clc-EC1 Deltanc Construct in 20MM Bromide

The structure of Structure of Clc-EC1 Deltanc Construct in 20MM Bromide, PDB code: 4kk6 was solved by H.-H.Lim, C.Miller, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.88 / 3.18
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.362, 100.918, 171.718, 90.00, 132.12, 90.00
R / Rfree (%)	23.5 / 26.9

The binding sites of Bromine atom in the Structure of Clc-EC1 Deltanc Construct in 20MM Bromide (pdb code 4kk6). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Structure of Clc-EC1 Deltanc Construct in 20MM Bromide, PDB code: 4kk6:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Structure of Clc-EC1 Deltanc Construct in 20MM Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Clc-EC1 Deltanc Construct in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:98.1 occ:1.00 N A:ILE356 2.8 62.4 1.0 CA A:GLY355 2.9 67.0 1.0 OH A:TYR445 3.0 63.3 1.0 C A:GLY355 3.3 63.2 1.0 N A:PHE357 3.3 60.7 1.0 OG A:SER107 3.4 71.2 1.0 CB A:SER107 3.7 70.3 1.0 CB A:PHE357 3.8 62.8 1.0 OE1 A:GLU148 3.9 64.1 1.0 CA A:ILE356 3.9 55.5 1.0 CG2 A:ILE356 4.1 53.2 1.0 CZ A:TYR445 4.1 59.4 1.0 C A:ILE356 4.1 60.7 1.0 CA A:PHE357 4.1 62.7 1.0 CD1 A:ILE109 4.2 67.0 1.0 N A:GLY149 4.3 62.9 1.0 N A:GLY355 4.3 64.0 1.0 CE2 A:TYR445 4.4 58.5 1.0 CB A:ILE356 4.4 53.8 1.0 CB A:GLU148 4.4 62.6 1.0 CA A:GLY149 4.5 59.8 1.0 O A:GLY355 4.5 62.8 1.0 CA A:SER107 4.6 72.9 1.0 CD1 A:PHE357 4.6 59.7 1.0 CG A:PHE357 4.7 61.5 1.0 CG1 A:ILE109 4.8 64.2 1.0 CD A:GLU148 4.9 65.4 1.0

Bromine binding site 2 out of 4 in the Structure of Clc-EC1 Deltanc Construct in 20MM Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Clc-EC1 Deltanc Construct in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:0.6 occ:1.00 N A:SER107 2.7 76.2 1.0 CA A:GLY106 3.4 73.8 1.0 C A:GLY106 3.4 73.3 1.0 CA A:SER107 3.6 72.9 1.0 CB A:SER107 3.6 70.3 1.0 N A:GLY108 3.8 73.0 1.0 CZ A:PHE348 3.9 64.1 1.0 CG A:PRO110 4.1 70.3 1.0 CD A:PRO110 4.2 68.7 1.0 C A:SER107 4.2 69.9 1.0 O A:GLY105 4.2 75.1 1.0 CE1 A:PHE348 4.3 62.5 1.0 CG2 A:ILE448 4.4 74.8 1.0 O A:GLY106 4.6 67.3 1.0 N A:GLY106 4.6 81.2 1.0 OG A:SER107 4.6 71.2 1.0 CD1 A:ILE448 4.7 69.5 1.0 CE2 A:PHE348 4.8 61.2 1.0 C A:GLY105 4.8 76.4 1.0 CA A:GLY108 5.0 70.4 1.0

Bromine binding site 3 out of 4 in the Structure of Clc-EC1 Deltanc Construct in 20MM Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Clc-EC1 Deltanc Construct in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:0.5 occ:1.00 N B:ILE356 2.2 77.1 1.0 OH B:TYR445 2.7 81.5 1.0 CA B:GLY355 2.9 72.4 1.0 C B:GLY355 2.9 71.1 1.0 N B:PHE357 2.9 74.7 1.0 CA B:ILE356 3.2 70.8 1.0 CG2 B:ILE356 3.5 60.8 1.0 C B:ILE356 3.5 72.5 1.0 CZ B:TYR445 3.8 80.3 1.0 CB B:ILE356 3.8 63.8 1.0 CA B:PHE357 4.0 71.5 1.0 CB B:PHE357 4.0 70.7 1.0 CE2 B:TYR445 4.0 82.5 1.0 CB B:SER107 4.1 74.7 1.0 OG B:SER107 4.1 75.5 1.0 O B:GLY355 4.1 66.7 1.0 OE1 B:GLU148 4.2 64.6 1.0 N B:GLY355 4.3 70.5 1.0 CD1 B:ILE109 4.3 71.9 1.0 CE1 B:PHE348 4.5 70.0 1.0 O B:ILE356 4.7 66.0 1.0 CA B:SER107 4.8 77.9 1.0 CZ B:PHE348 4.8 77.5 1.0

Bromine binding site 4 out of 4 in the Structure of Clc-EC1 Deltanc Construct in 20MM Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Clc-EC1 Deltanc Construct in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:0.8 occ:1.00 N B:SER107 3.3 82.3 1.0 CB B:SER107 3.5 74.7 1.0 CD1 B:ILE448 3.6 77.4 1.0 CZ B:PHE348 3.8 77.5 1.0 CG B:PRO110 3.9 72.6 1.0 CA B:SER107 3.9 77.9 1.0 CG2 B:ILE448 4.0 78.2 1.0 CD B:PRO110 4.1 73.7 1.0 N B:GLY108 4.2 80.7 1.0 C B:GLY106 4.2 84.9 1.0 CA B:GLY106 4.3 83.6 1.0 CE1 B:PHE348 4.4 70.0 1.0 O B:GLY105 4.4 95.1 1.0 OG B:SER107 4.5 75.5 1.0 C B:SER107 4.6 78.9 1.0 CE2 B:PHE348 4.7 72.2 1.0 CG1 B:ILE448 4.7 75.8 1.0 CB B:PRO110 4.8 69.7 1.0 CB B:ILE448 4.8 78.3 1.0 NE2 B:GLN277 5.0 90.9 1.0

H.H.Lim, R.B.Stockbridge, C.Miller. Fluoride-Dependent Interruption of the Transport Cycle of A Clc Cl(-)/H(+) Antiporter. Nat.Chem.Biol. V. 9 721 2013.
ISSN: ISSN 1552-4450
PubMed: 24036509
DOI: 10.1038/NCHEMBIO.1336