Chlorine in PDB 4mqx: Clc-EC1 Fab Complex Cysless A399C-A432C Mutant

The structure of Clc-EC1 Fab Complex Cysless A399C-A432C Mutant, PDB code: 4mqx was solved by D.Basilio, K.Noack, A.Picollo, A.Accardi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.56 / 3.52
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	233.506, 94.516, 170.601, 90.00, 131.75, 90.00
R / Rfree (%)	22.3 / 25.8

The binding sites of Chlorine atom in the Clc-EC1 Fab Complex Cysless A399C-A432C Mutant (pdb code 4mqx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Clc-EC1 Fab Complex Cysless A399C-A432C Mutant, PDB code: 4mqx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Clc-EC1 Fab Complex Cysless A399C-A432C Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Clc-EC1 Fab Complex Cysless A399C-A432C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:92.3 occ:1.00 OH A:TYR445 2.7 93.4 1.0 OG A:SER107 2.9 98.5 1.0 N A:ILE356 3.0 96.7 1.0 N A:PHE357 3.2 87.3 1.0 CA A:GLY355 3.4 92.2 1.0 CB A:PHE357 3.5 92.5 1.0 C A:GLY355 3.7 93.1 1.0 CB A:SER107 3.7 97.2 1.0 CZ A:TYR445 3.7 90.3 1.0 CA A:PHE357 3.9 90.5 1.0 CE1 A:TYR445 3.9 92.2 1.0 CG2 A:ILE356 3.9 94.2 1.0 CA A:ILE356 4.0 94.4 1.0 C A:ILE356 4.0 92.3 1.0 CD1 A:ILE109 4.4 78.2 1.0 CB A:ILE356 4.5 94.9 1.0 CG A:PHE357 4.6 91.0 1.0 OE1 A:GLU148 4.7 96.1 1.0 CB A:GLU148 4.7 83.2 1.0 CA A:SER107 4.7 93.1 1.0 N A:GLY355 4.8 88.5 1.0 N A:GLY149 4.8 91.4 1.0 O A:GLY355 4.8 89.8 1.0 CE1 A:PHE348 4.8 85.0 1.0 CD2 A:PHE357 4.9 78.7 1.0 CE2 A:TYR445 4.9 88.1 1.0 CG1 A:ILE109 5.0 85.4 1.0

Chlorine binding site 2 out of 4 in the Clc-EC1 Fab Complex Cysless A399C-A432C Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Clc-EC1 Fab Complex Cysless A399C-A432C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:0.5 occ:1.00 N A:SER107 2.9 88.3 1.0 CA A:GLY106 3.5 91.2 1.0 C A:GLY106 3.6 87.1 1.0 CA A:SER107 3.9 93.1 1.0 CB A:SER107 3.9 97.2 1.0 CG A:PRO110 4.0 99.9 1.0 CG2 A:ILE448 4.0 89.2 1.0 N A:GLY108 4.0 94.6 1.0 CD A:PRO110 4.1 99.0 1.0 O A:GLY105 4.2 90.5 1.0 CD1 A:ILE448 4.2 96.0 1.0 C A:SER107 4.4 93.9 1.0 CZ A:PHE348 4.5 82.3 1.0 N A:GLY106 4.5 0.3 1.0 C A:GLY105 4.8 98.0 1.0 O A:GLY106 4.8 85.3 1.0 CB A:PRO110 4.8 91.1 1.0

Chlorine binding site 3 out of 4 in the Clc-EC1 Fab Complex Cysless A399C-A432C Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Clc-EC1 Fab Complex Cysless A399C-A432C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:83.4 occ:1.00 OH B:TYR445 2.4 88.1 1.0 OG B:SER107 2.6 80.8 1.0 N B:ILE356 3.1 76.8 1.0 N B:PHE357 3.4 86.2 1.0 CA B:GLY355 3.4 79.2 1.0 CB B:SER107 3.4 82.0 1.0 CZ B:TYR445 3.6 82.4 1.0 CD1 B:ILE109 3.7 69.7 1.0 C B:GLY355 3.7 76.5 1.0 CB B:PHE357 3.7 71.8 1.0 CG2 B:ILE356 3.8 58.7 1.0 CE1 B:TYR445 4.0 78.8 1.0 CA B:ILE356 4.1 73.3 1.0 CA B:PHE357 4.1 73.9 1.0 C B:ILE356 4.1 88.3 1.0 CB B:ILE356 4.4 62.8 1.0 N B:GLY149 4.4 81.6 1.0 CG1 B:ILE109 4.4 78.7 1.0 CA B:SER107 4.5 79.6 1.0 CA B:GLY149 4.6 78.9 1.0 CE2 B:TYR445 4.6 78.5 1.0 CB B:GLU148 4.7 73.2 1.0 N B:GLY355 4.7 87.0 1.0 CG B:PHE357 4.7 81.9 1.0 CD2 B:PHE357 4.7 85.4 1.0 OE1 B:GLU148 4.8 83.2 1.0 O B:GLY355 4.9 70.2 1.0 O B:GLY354 5.0 84.1 1.0

Chlorine binding site 4 out of 4 in the Clc-EC1 Fab Complex Cysless A399C-A432C Mutant


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Clc-EC1 Fab Complex Cysless A399C-A432C Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:78.2 occ:1.00 CG B:PRO110 3.5 80.3 1.0 CD1 B:ILE448 3.5 77.2 1.0 CG2 B:ILE448 3.5 69.0 1.0 CD B:PRO110 3.6 78.2 1.0 N B:SER107 3.7 74.2 1.0 CZ B:PHE348 4.0 71.1 1.0 CB B:SER107 4.0 82.0 1.0 N B:GLY108 4.3 85.3 1.0 CA B:SER107 4.4 79.6 1.0 CB B:ILE448 4.4 73.9 1.0 CE1 B:PHE348 4.4 74.3 1.0 CB B:PRO110 4.5 75.9 1.0 CG1 B:ILE448 4.5 74.9 1.0 O B:GLY105 4.6 99.7 1.0 CA B:GLY106 4.7 83.0 1.0 C B:GLY106 4.7 79.2 1.0 C B:SER107 4.9 81.9 1.0

D.Basilio, K.Noack, A.Picollo, A.Accardi. Conformational Changes Required For H(+)/Cl(-) Exchange Mediated By A Clc Transporter. Nat.Struct.Mol.Biol. V. 21 456 2014.
ISSN: ISSN 1545-9993
PubMed: 24747941
DOI: 10.1038/NSMB.2814