Bromine in PDB 6adb: Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide

The structure of Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide, PDB code: 6adb was solved by H.-H.Lim, K.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.96 / 2.69
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.897, 97.980, 170.792, 90.00, 132.02, 90.00
R / Rfree (%)	23.7 / 27.8

The binding sites of Bromine atom in the Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide (pdb code 6adb). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide, PDB code: 6adb:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Crystal Structure of the E148N Mutant Clc-EC1 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 Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br501 b:0.5 occ:1.00 CA A:GLY146 3.1 82.2 1.0 N A:ASN148 3.3 80.9 1.0 CB A:ASN148 3.3 85.5 1.0 C A:GLY146 3.3 87.2 1.0 N A:ALA358 3.4 80.2 1.0 CA A:GLY355 3.5 92.7 1.0 N A:GLY146 3.7 78.5 1.0 N A:ARG147 3.7 84.7 1.0 C A:GLY355 3.7 85.0 1.0 N A:PHE357 3.7 82.3 1.0 CB A:PHE357 3.7 81.3 1.0 CA A:ASN148 3.8 86.0 1.0 N A:GLY149 3.8 79.6 1.0 CB A:ALA358 3.8 75.1 1.0 O A:GLY146 3.8 91.1 1.0 N A:GLY355 4.0 93.2 1.0 N A:ILE356 4.0 89.3 1.0 CA A:PHE357 4.1 82.9 1.0 O A:GLY355 4.2 82.6 1.0 CA A:ALA358 4.2 73.8 1.0 C A:PHE357 4.2 84.0 1.0 C A:ARG147 4.2 83.2 1.0 BR A:BR502 4.3 0.4 1.0 CD A:PRO359 4.3 81.3 1.0 C A:ASN148 4.3 85.4 1.0 C A:ILE356 4.5 83.7 1.0 CA A:ARG147 4.6 81.2 1.0 CG A:ASN148 4.7 75.1 1.0 CA A:ILE356 4.8 90.7 1.0 CA A:GLY149 4.9 91.2 1.0 CG A:PHE357 4.9 80.6 1.0 C A:LEU145 5.0 79.6 1.0 ND2 A:ASN148 5.0 83.3 1.0

Bromine binding site 2 out of 6 in the Crystal Structure of the E148N Mutant Clc-EC1 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 Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br502 b:0.4 occ:1.00 OH A:TYR445 2.8 94.8 1.0 N A:ILE356 3.3 89.3 1.0 OG A:SER107 3.3 91.9 1.0 CA A:GLY355 3.4 92.7 1.0 N A:PHE357 3.5 82.3 1.0 CD1 A:ILE109 3.6 86.4 1.0 CB A:SER107 3.6 85.2 1.0 CB A:PHE357 3.6 81.3 1.0 CZ A:TYR445 3.9 90.3 1.0 C A:GLY355 3.9 85.0 1.0 CA A:GLY149 4.0 91.2 1.0 N A:GLY149 4.0 79.6 1.0 CE2 A:TYR445 4.2 83.9 1.0 CA A:PHE357 4.2 82.9 1.0 BR A:BR501 4.3 0.5 1.0 CA A:ILE356 4.3 90.7 1.0 C A:ILE356 4.4 83.7 1.0 CG2 A:ILE356 4.4 81.2 1.0 CG1 A:ILE109 4.4 88.7 1.0 CA A:SER107 4.6 89.6 1.0 CG A:PHE357 4.7 80.6 1.0 N A:GLY355 4.7 93.2 1.0 CD1 A:PHE357 4.7 79.2 1.0 CB A:ASN148 4.9 85.5 1.0 CB A:ILE356 4.9 90.5 1.0

Bromine binding site 3 out of 6 in the Crystal Structure of the E148N Mutant Clc-EC1 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 Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:0.4 occ:1.00 N A:SER107 3.2 87.9 1.0 CZ A:PHE348 3.6 81.0 1.0 CB A:SER107 3.9 85.2 1.0 CG2 A:ILE448 3.9 86.8 1.0 CA A:GLY106 3.9 88.5 1.0 CG A:PRO110 4.0 76.7 1.0 C A:GLY106 4.0 87.2 1.0 CA A:SER107 4.0 89.6 1.0 CE1 A:PHE348 4.2 79.4 1.0 CD A:PRO110 4.2 79.4 1.0 N A:GLY108 4.3 89.4 1.0 O A:GLY105 4.4 98.5 1.0 CD1 A:ILE448 4.4 81.1 1.0 CE2 A:PHE348 4.5 84.0 1.0 C A:SER107 4.7 89.3 1.0 CB A:PRO110 4.9 87.6 1.0 OG A:SER107 4.9 91.9 1.0 N A:GLY106 4.9 0.6 1.0

Bromine binding site 4 out of 6 in the Crystal Structure of the E148N Mutant Clc-EC1 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 Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br501 b:0.4 occ:1.00 CA B:GLY146 3.3 74.5 1.0 CB B:ASN148 3.3 78.3 1.0 N B:ALA358 3.4 89.7 1.0 CA B:GLY355 3.5 90.0 1.0 C B:GLY146 3.5 73.5 1.0 N B:ASN148 3.5 84.0 1.0 C B:GLY355 3.6 85.8 1.0 CB B:PHE357 3.6 81.5 1.0 N B:PHE357 3.6 84.0 1.0 O B:GLY355 3.8 82.6 1.0 O B:GLY146 3.8 83.2 1.0 N B:GLY146 3.8 74.4 1.0 N B:ARG147 3.9 79.8 1.0 CA B:ASN148 3.9 82.2 1.0 CB B:ALA358 3.9 75.5 1.0 CA B:PHE357 4.0 79.5 1.0 N B:GLY149 4.1 79.5 1.0 N B:GLY355 4.1 88.7 1.0 N B:ILE356 4.1 86.1 1.0 C B:PHE357 4.2 87.9 1.0 CA B:ALA358 4.3 78.2 1.0 CD B:PRO359 4.3 83.8 1.0 BR B:BR502 4.4 0.1 1.0 C B:ILE356 4.5 87.5 1.0 C B:ASN148 4.5 85.1 1.0 C B:ARG147 4.6 77.3 1.0 CG B:ASN148 4.6 83.6 1.0 CZ B:PHE190 4.7 74.1 1.0 CG B:PHE357 4.8 90.8 1.0 ND2 B:ASN148 4.8 89.0 1.0 CA B:ILE356 4.8 85.6 1.0 CA B:ARG147 4.8 79.3 1.0

Bromine binding site 5 out of 6 in the Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br502 b:0.1 occ:1.00 OH B:TYR445 2.8 93.4 1.0 CA B:GLY355 3.4 90.0 1.0 N B:ILE356 3.4 86.1 1.0 OG B:SER107 3.6 88.0 1.0 CB B:SER107 3.7 93.5 1.0 CZ B:TYR445 3.8 90.8 1.0 N B:PHE357 3.8 84.0 1.0 CB B:PHE357 3.8 81.5 1.0 C B:GLY355 3.9 85.8 1.0 N B:GLY149 4.0 79.5 1.0 CA B:GLY149 4.1 87.6 1.0 CG1 B:ILE109 4.2 84.2 1.0 CE2 B:TYR445 4.2 87.1 1.0 CG2 B:ILE356 4.3 70.5 1.0 BR B:BR501 4.4 0.4 1.0 CA B:PHE357 4.5 79.5 1.0 CA B:ILE356 4.5 85.6 1.0 CA B:SER107 4.5 89.5 1.0 C B:ILE356 4.6 87.5 1.0 N B:GLY355 4.7 88.7 1.0 ND2 B:ASN148 4.7 89.0 1.0 CD1 B:PHE357 4.8 83.1 1.0 CG B:PHE357 4.8 90.8 1.0 CE1 B:TYR445 4.8 95.1 1.0 C B:ASN148 4.9 85.1 1.0 CB B:ILE356 5.0 74.9 1.0 CB B:ASN148 5.0 78.3 1.0

Bromine binding site 6 out of 6 in the Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Crystal Structure of the E148N Mutant Clc-EC1 in 20MM Bromide within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:0.5 occ:1.00 N B:SER107 3.3 86.4 1.0 CG B:PRO110 3.5 81.5 1.0 CB B:SER107 3.7 93.5 1.0 CD B:PRO110 3.8 78.8 1.0 CG2 B:ILE448 3.8 89.4 1.0 CZ B:PHE348 3.9 76.3 1.0 N B:GLY108 3.9 82.0 1.0 CA B:SER107 4.0 89.5 1.0 C B:GLY106 4.1 94.0 1.0 CD1 B:ILE448 4.1 82.3 1.0 CA B:GLY106 4.2 93.2 1.0 O B:GLY105 4.3 91.0 1.0 CB B:PRO110 4.4 76.6 1.0 C B:SER107 4.5 87.1 1.0 OG B:SER107 4.5 88.0 1.0 CE1 B:PHE348 4.6 75.9 1.0 CE2 B:PHE348 4.7 77.7 1.0 CB B:ILE448 4.8 90.1 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