Calcium in PDB 2xn6: Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6 was solved by X.Qi, Y.Yan, Z.Wei, A.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	86.34 / 1.29
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	172.690, 42.140, 56.100, 90.00, 90.00, 90.00
R / Rfree (%)	20.725 / 23.453

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein also contains other interesting chemical elements:

Iodine

(I)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (pdb code 2xn6). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 7 binding sites of Calcium where determined in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6:
Jump to Calcium binding site number: 1; 2; 3; 4; 5; 6; 7;

Calcium binding site 1 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1356 b:38.8 occ:1.00 O A:HOH2033 2.4 33.1 1.0 ND1 A:HIS185 2.8 12.9 1.0 CB A:GLN109 3.5 15.8 1.0 CG A:GLN109 3.5 18.7 1.0 N A:GLN109 3.6 13.6 1.0 CG A:HIS185 3.6 11.2 1.0 CB A:HIS185 3.7 10.6 1.0 O A:HIS185 3.7 9.8 1.0 CE1 A:HIS185 3.8 12.9 1.0 CE A:LYS162 4.1 22.3 1.0 CA A:GLN109 4.1 14.3 1.0 C A:LEU108 4.2 13.8 1.0 C A:HIS185 4.2 9.4 1.0 N A:LEU108 4.2 13.9 1.0 CB A:GLU107 4.3 17.3 1.0 C A:GLU107 4.4 14.8 1.0 CA A:LEU108 4.5 13.5 1.0 CA A:HIS185 4.5 9.4 1.0 O A:HOH2084 4.7 24.9 1.0 OE1 A:GLU107 4.8 23.6 1.0 CG A:LYS162 4.8 17.9 1.0 CA A:GLU107 4.8 16.9 1.0 O A:GLU107 4.8 12.7 1.0 CD2 A:HIS185 4.8 12.3 1.0 NE2 A:HIS185 4.9 12.2 1.0 O A:LEU108 4.9 14.4 1.0 O A:GLN109 5.0 13.2 1.0

Calcium binding site 2 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1359 b:19.3 occ:0.60 OD1 A:ASP222 3.2 17.6 0.5 CG A:ASP222 3.7 16.0 0.5 OD2 A:ASP222 3.7 17.7 0.5 OD2 A:ASP222 4.0 18.0 0.5 O A:HOH2184 4.1 17.3 1.0 O A:MET221 4.5 16.7 1.0 CG A:ASP222 4.6 15.5 0.5 CZ3 A:TRP280 4.8 16.7 1.0 CB A:ASP222 4.9 15.2 0.5 OD1 A:ASP222 5.0 19.4 0.5

Calcium binding site 3 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1362 b:28.6 occ:1.00 O A:HOH2116 2.8 27.6 1.0 O A:HOH2096 3.0 8.8 1.0 N A:PHE143 3.3 19.5 1.0 N A:LYS118 3.7 17.4 1.0 O A:THR141 3.8 19.2 1.0 CB A:PHE143 3.8 18.9 1.0 CA A:GLY117 3.9 16.6 1.0 CA A:PHE143 4.0 19.6 1.0 CG A:LYS118 4.0 20.5 1.0 CD2 A:HIS119 4.1 18.8 1.0 N A:SER144 4.2 21.0 1.0 C A:GLY117 4.2 16.9 1.0 C A:ASP142 4.3 19.8 1.0 C A:PHE143 4.3 20.6 1.0 CA A:ASP142 4.3 20.2 1.0 OD1 A:ASP142 4.4 23.0 1.0 CD2 A:PHE143 4.4 16.9 1.0 N A:HIS119 4.6 17.4 1.0 CG A:PHE143 4.6 17.9 1.0 CA A:LYS118 4.7 18.1 1.0 CD A:LYS118 4.7 22.7 1.0 C A:THR141 4.8 19.0 1.0 CB A:LYS118 4.8 19.3 1.0 NE2 A:HIS119 4.8 19.9 1.0 CG A:HIS119 5.0 17.7 1.0

Calcium binding site 4 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1365 b:86.9 occ:1.00 O A:GLU320 3.6 22.8 1.0 C A:ASP321 3.6 20.6 1.0 O A:ASP321 3.7 20.8 1.0 CA A:ASP321 3.9 21.9 1.0 CB A:ASN322 4.0 18.8 1.0 N A:ASN322 4.0 19.6 1.0 O A:HOH2258 4.1 14.7 1.0 C A:GLU320 4.5 21.7 1.0 N A:ASP321 4.6 21.3 1.0 CA A:ASN322 4.6 18.8 1.0

Calcium binding site 5 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 5 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1366 b:67.2 occ:1.00 OE2 A:GLU320 3.8 29.1 1.0 N A:ALA124 3.8 24.6 1.0 O A:PRO122 4.0 21.1 1.0 CD2 A:LEU123 4.1 24.4 1.0 CA A:LEU123 4.1 22.2 1.0 CG A:GLU320 4.4 24.1 1.0 C A:LEU123 4.5 22.8 1.0 CD A:GLU320 4.5 25.6 1.0 CB A:ALA124 4.6 26.5 1.0 CA A:ALA124 4.8 25.7 1.0 CB A:LEU123 4.8 22.3 1.0 C A:PRO122 4.9 20.8 1.0 N A:LEU123 4.9 21.0 1.0

Calcium binding site 6 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 6 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1367 b:60.0 occ:1.00 CE1 A:PHE139 3.9 20.4 1.0 OE2 A:GLU152 4.0 24.3 1.0 CD1 A:PHE139 4.1 19.8 1.0 O A:HOH2125 4.3 18.2 1.0 CZ A:PHE139 4.5 19.9 1.0 CG A:GLU152 4.8 19.4 1.0 CG A:PHE139 4.8 18.2 1.0 CD A:GLU152 4.8 22.2 1.0

Calcium binding site 7 out of 7 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 7 of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1368 b:73.7 occ:1.00 CB A:SER204 4.2 18.7 1.0 CG2 A:THR212 4.4 20.5 1.0 OD2 B:ASP368 4.5 20.2 1.0 O A:SER204 4.6 16.6 1.0 CB A:LEU206 4.7 16.2 1.0 C A:SER204 4.8 16.3 1.0 O B:ASP368 4.8 13.1 1.0 N A:LEU206 4.8 14.6 1.0 CD1 A:LEU206 4.9 18.1 1.0 CG B:ASP368 4.9 15.5 1.0

X.Qi, F.Loiseau, W.L.Chan, Y.Yan, Z.Wei, L.G.Milroy, R.M.Myers, S.V.Ley, R.J.Read, R.W.Carrell, A.Zhou. Allosteric Modulation of Hormone Release From Thyroxine and Corticosteroid Binding-Globulins. J.Biol.Chem. V. 286 16163 2011.
ISSN: ISSN 0021-9258
PubMed: 21325280
DOI: 10.1074/JBC.M110.171082