Chlorine in PDB 5hd8: Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1

The structure of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1, PDB code: 5hd8 was solved by I.I.Mathews, C.M.Khantwal, M.Maduke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.20 / 3.15
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	231.740, 96.060, 169.950, 90.00, 131.58, 90.00
R / Rfree (%)	20.5 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 (pdb code 5hd8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1, PDB code: 5hd8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:0.6 occ:1.00 N A:ILE356 3.0 95.5 1.0 OH A:TYR445 3.0 95.3 1.0 CA A:GLY355 3.2 97.8 1.0 OG A:SER107 3.4 0.6 1.0 N A:PHE357 3.5 95.6 1.0 C A:GLY355 3.6 96.6 1.0 CB A:SER107 3.6 0.3 1.0 CD1 A:ILE109 3.7 88.6 1.0 CB A:PHE357 3.9 96.9 1.0 CZ A:TYR445 4.0 92.2 1.0 CA A:ILE356 4.1 96.9 1.0 CE1 A:TYR445 4.1 91.8 1.0 CG2 A:ILE356 4.2 95.9 1.0 C A:ILE356 4.2 96.5 1.0 N A:GLY149 4.3 89.8 1.0 CA A:SER107 4.3 0.0 1.0 CA A:PHE357 4.3 96.1 1.0 OE1 A:GLU148 4.4 0.8 1.0 CA A:GLY149 4.4 89.8 1.0 N A:GLY355 4.5 97.1 1.0 CG1 A:ILE109 4.6 87.6 1.0 CB A:ILE356 4.6 97.8 1.0 CB A:GLU148 4.7 97.2 1.0 O A:GLY355 4.8 97.7 1.0 CG A:PHE357 5.0 96.2 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:0.2 occ:1.00 N A:SER107 2.8 0.0 1.0 CB A:SER107 3.4 0.3 1.0 CA A:SER107 3.6 0.0 1.0 N A:GLY108 3.7 0.5 1.0 C A:GLY106 3.7 0.4 1.0 CA A:GLY106 3.8 0.6 1.0 CG A:PRO110 3.8 94.0 1.0 CD A:PRO110 3.8 94.2 1.0 CZ A:PHE348 4.0 93.9 1.0 C A:SER107 4.1 0.9 1.0 CG2 A:ILE448 4.2 0.2 1.0 O A:GLY105 4.3 0.1 1.0 OG A:SER107 4.4 0.6 1.0 CE1 A:PHE348 4.5 92.4 1.0 CD1 A:ILE448 4.5 95.6 1.0 N A:GLY106 4.8 0.9 1.0 CA A:GLY108 4.8 0.9 1.0 O A:GLY106 4.8 0.9 1.0 CB A:PRO110 4.8 93.8 1.0 C A:GLY105 4.9 0.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:0.4 occ:1.00 OH B:TYR445 2.7 0.5 1.0 OG B:SER107 3.0 0.3 1.0 N B:ILE356 3.2 0.6 1.0 CA B:GLY355 3.3 0.1 1.0 N B:PHE357 3.6 0.7 1.0 CZ B:TYR445 3.6 0.1 1.0 CD1 B:ILE109 3.7 0.2 1.0 C B:GLY355 3.8 0.7 1.0 CB B:SER107 3.9 0.1 1.0 CE1 B:TYR445 3.9 0.8 1.0 CB B:PHE357 3.9 0.0 1.0 N B:GLY149 4.2 0.8 1.0 CA B:ILE356 4.2 0.1 1.0 CG2 B:ILE356 4.3 0.9 1.0 OE1 B:GLU148 4.3 0.3 1.0 CA B:GLY149 4.3 1.0 1.0 CA B:PHE357 4.3 0.8 1.0 C B:ILE356 4.3 0.1 1.0 CA B:SER107 4.4 0.8 1.0 CG1 B:ILE109 4.6 0.1 1.0 N B:GLY355 4.7 0.5 1.0 CD2 B:PHE357 4.7 0.5 1.0 CB B:GLU148 4.8 0.8 1.0 CB B:ILE356 4.8 0.7 1.0 CE2 B:TYR445 4.8 0.1 1.0 CG B:PHE357 4.9 0.6 1.0 C B:SER107 5.0 0.2 1.0 CB B:ILE109 5.0 0.2 1.0 O B:SER107 5.0 0.7 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Disulfide Cross-Linked D417C Clc-EC1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:0.3 occ:1.00 N B:SER107 3.3 1.0 1.0 CB B:SER107 3.5 0.1 1.0 CG2 B:ILE448 3.6 0.8 1.0 CG B:PRO110 3.7 1.0 1.0 CZ B:PHE348 3.8 91.9 1.0 CA B:SER107 3.9 0.8 1.0 CD1 B:ILE448 3.9 0.6 1.0 CD B:PRO110 4.1 0.9 1.0 C B:GLY106 4.2 0.3 1.0 N B:GLY108 4.3 0.6 1.0 CA B:GLY106 4.3 0.0 1.0 CE1 B:PHE348 4.4 91.7 1.0 O B:GLY105 4.4 0.4 1.0 CE2 B:PHE348 4.6 92.8 1.0 C B:SER107 4.7 0.2 1.0 CB B:ILE448 4.7 0.1 1.0 NE2 B:GLN277 4.7 0.2 1.0 OG B:SER107 4.7 0.3 1.0 CG1 B:ILE448 4.7 0.5 1.0

C.M.Khantwal, S.J.Abraham, W.Han, T.Jiang, T.S.Chavan, R.C.Cheng, S.M.Elvington, C.W.Liu, I.I.Mathews, R.A.Stein, H.S.Mchaourab, E.Tajkhorshid, M.Maduke. Conformational Change in Clc Transporters: Beyond the Rotation of Gluex To Be Published.