Chlorine in PDB 4yia: Structural Mechanism of Hormone Release in Thyroxine Binding Globulin

The structure of Structural Mechanism of Hormone Release in Thyroxine Binding Globulin, PDB code: 4yia was solved by Y.Zheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.57 / 1.58
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	41.980, 56.070, 173.360, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 22.9

The structure of Structural Mechanism of Hormone Release in Thyroxine Binding Globulin also contains other interesting chemical elements:

Calcium	(Ca)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Structural Mechanism of Hormone Release in Thyroxine Binding Globulin (pdb code 4yia). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structural Mechanism of Hormone Release in Thyroxine Binding Globulin, PDB code: 4yia:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structural Mechanism of Hormone Release in Thyroxine Binding Globulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Mechanism of Hormone Release in Thyroxine Binding Globulin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:35.9 occ:1.00 CA B:CA402 2.2 39.0 1.0 O A:SER23 2.9 19.4 1.0 O B:ARG381 3.0 12.1 1.0 C14 B:IMN401 3.6 16.0 1.0 N A:ALA27 3.6 11.6 1.0 N B:ILE383 3.6 10.1 1.0 CB A:ALA27 3.6 11.6 1.0 OG A:SER23 3.7 16.5 1.0 C A:SER23 3.7 17.2 1.0 CA B:SER382 3.8 12.6 1.0 CA A:SER23 3.8 18.2 1.0 CA A:ALA27 3.9 11.2 1.0 CG1 B:ILE383 4.0 8.9 1.0 C15 B:IMN401 4.0 16.0 1.0 C B:SER382 4.1 11.4 1.0 C B:ARG381 4.1 12.7 1.0 CB A:SER23 4.2 19.4 1.0 O B:HOH512 4.2 28.6 1.0 CB A:ASN26 4.3 14.0 1.0 C A:ASN26 4.3 12.0 1.0 N B:SER382 4.3 12.1 1.0 CL B:CL403 4.4 50.8 1.0 CD1 B:ILE383 4.5 9.2 1.0 CB B:ILE383 4.7 8.9 1.0 CA B:ILE383 4.7 9.0 1.0 C13 B:IMN401 4.7 14.4 1.0 CA A:ASN26 4.8 13.3 1.0 CB B:SER382 4.9 15.3 1.0 N A:SER24 4.9 17.7 1.0 O A:MET22 4.9 19.7 1.0 N A:SER23 5.0 20.4 1.0

Chlorine binding site 2 out of 3 in the Structural Mechanism of Hormone Release in Thyroxine Binding Globulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Mechanism of Hormone Release in Thyroxine Binding Globulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:19.9 occ:1.00 CL B:IMN401 0.0 19.9 1.0 C13 B:IMN401 1.8 14.4 1.0 C12 B:IMN401 2.7 16.8 1.0 C14 B:IMN401 2.7 16.0 1.0 CB A:SER266 3.6 12.0 1.0 CA A:SER266 3.8 11.4 1.0 OG A:SER24 3.8 28.8 1.0 O A:SER266 3.8 12.0 1.0 CA A:SER24 3.9 20.0 1.0 C11 B:IMN401 4.0 15.0 1.0 C15 B:IMN401 4.0 16.0 1.0 OG A:SER23 4.1 16.5 1.0 CB A:ALA27 4.1 11.6 1.0 O A:SER23 4.1 19.4 1.0 C A:SER266 4.2 11.8 1.0 N A:SER24 4.2 17.7 1.0 CB A:LEU269 4.3 9.5 1.0 CE A:LYS270 4.3 22.2 1.0 CD1 A:LEU269 4.3 10.5 1.0 CB A:SER24 4.4 22.2 1.0 O A:HOH655 4.4 29.4 1.0 C A:SER23 4.4 17.2 1.0 CG A:LYS270 4.4 15.6 1.0 C10 B:IMN401 4.5 14.6 1.0 OG A:SER266 4.9 14.6 1.0 CD A:LYS270 4.9 17.8 1.0 CG A:LEU269 4.9 10.0 1.0

Chlorine binding site 3 out of 3 in the Structural Mechanism of Hormone Release in Thyroxine Binding Globulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Mechanism of Hormone Release in Thyroxine Binding Globulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl403 b:50.8 occ:1.00 CA B:CA402 2.2 39.0 1.0 O A:HOH646 2.8 22.9 1.0 O B:ILE383 3.1 11.6 1.0 O B:HOH512 3.4 28.6 1.0 N A:VAL51 3.7 10.8 1.0 N B:ILE383 3.8 10.1 1.0 CB A:VAL51 3.8 14.1 1.0 CB A:ASN26 3.9 14.0 1.0 CA A:VAL51 3.9 12.2 1.0 C B:ILE383 4.0 9.2 1.0 CB A:PRO50 4.1 9.5 1.0 CB B:ILE383 4.1 8.9 1.0 C A:PRO50 4.1 10.5 1.0 CA B:ILE383 4.1 9.0 1.0 O A:ASN26 4.2 11.3 1.0 CG2 A:VAL51 4.3 17.7 1.0 CL A:CL404 4.4 35.9 1.0 C A:ASN26 4.4 12.0 1.0 CG A:PRO50 4.5 9.1 1.0 CG A:ASN26 4.6 17.0 1.0 ND2 A:ASN26 4.6 18.2 1.0 O A:PRO50 4.7 10.0 1.0 C B:SER382 4.7 11.4 1.0 CA A:PRO50 4.7 9.4 1.0 CA A:ASN26 4.8 13.3 1.0 CB B:SER382 4.8 15.3 1.0 CA B:SER382 4.8 12.6 1.0 CG1 B:ILE383 4.8 8.9 1.0 N A:ALA27 5.0 11.6 1.0

Y.Zheng, Y.Zheng. N/A N/A.