Chlorine in PDB 5a1s: Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica.

The structure of Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica., PDB code: 5a1s was solved by D.Woehlert, M.J.Groetzinger, W.Kuhlbrandt, O.Yildiz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.98 / 2.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	86.382, 89.935, 91.843, 90.44, 113.79, 99.55
R / Rfree (%)	20.8 / 24.6

The structure of Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica. also contains other interesting chemical elements:

Sodium

(Na)

7 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica. (pdb code 5a1s). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica., PDB code: 5a1s:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica.


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 the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1452 b:0.2 occ:1.00 NE2 A:HIS198 2.8 73.9 1.0 NH2 A:ARG205 3.7 93.4 1.0 CE1 A:HIS198 3.7 68.7 1.0 CD2 A:HIS198 3.8 60.5 1.0 CZ A:ARG205 4.6 90.7 1.0 NH1 A:ARG205 4.8 65.1 1.0 ND1 A:HIS198 4.9 54.5 1.0 CG A:HIS198 5.0 65.7 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica.


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 the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1451 b:62.5 occ:1.00 O D:HOH2001 3.3 48.2 1.0 NZ A:LYS235 3.5 62.1 1.0 N D:GLN101 3.5 45.2 1.0 CB D:THR100 3.9 43.1 1.0 CA D:THR100 4.1 45.0 1.0 CB D:GLN101 4.1 41.9 1.0 CD A:LYS235 4.1 57.9 1.0 CE A:LYS235 4.2 58.1 1.0 C D:THR100 4.3 53.9 1.0 CA D:GLN101 4.4 44.2 1.0 CG2 D:THR100 4.5 44.0 1.0 OD1 D:ASN45 4.8 62.7 1.0 ND2 D:ASN45 4.9 64.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica.


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 the Sodium-Dependent Citrate Symporter Secits Form Salmonella Enterica. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1452 b:56.5 occ:1.00 NZ D:LYS102 3.0 63.7 1.0 OH C:TYR283 3.2 59.7 1.0 N D:ILE47 3.6 52.9 1.0 CE2 C:TYR283 3.8 59.8 1.0 CA D:ALA46 3.8 57.2 1.0 OG1 A:THR238 3.8 89.7 1.0 CE D:LYS102 3.8 54.1 1.0 CZ C:TYR283 4.0 53.9 1.0 O D:ILE47 4.0 49.0 1.0 CD D:LYS102 4.1 43.5 1.0 O D:ASN45 4.1 54.5 1.0 C D:ALA46 4.2 54.5 1.0 CB A:THR238 4.3 67.6 1.0 CB D:ALA46 4.3 38.2 1.0 C D:ILE47 4.4 49.5 1.0 CG2 A:THR238 4.5 66.2 1.0 CA D:ILE47 4.6 52.9 1.0 N D:ALA46 4.8 54.1 1.0 C D:ASN45 4.9 62.1 1.0

D.Wohlert, M.J.Grotzinger, W.Kuhlbrandt, O.Yildiz. Mechanism of Na(+)-Dependent Citrate Transport From the Structure of An Asymmetrical Cits Dimer. Elife V. 4 09375 2015.
ISSN: ESSN 2050-084X
PubMed: 26636752
DOI: 10.7554/ELIFE.09375