Calcium in PDB 2xn5: Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide, PDB code: 2xn5 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)	86.44 / 1.70
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	172.880, 42.150, 56.190, 90.00, 90.00, 90.00
R / Rfree (%)	20.43 / 23.208

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

Chlorine

(Cl)

1 atom

The binding sites of Calcium atom in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide (pdb code 2xn5). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide, PDB code: 2xn5:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide


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 Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1357 b:40.4 occ:1.00 OG1 A:THR268 3.4 13.8 1.0 O A:HOH2189 3.7 24.4 1.0 CA A:THR268 3.8 13.9 1.0 CB A:THR268 4.0 14.2 1.0 N A:THR268 4.0 14.4 1.0 O A:HOH2169 4.2 39.1 1.0 CG2 A:THR268 4.2 13.1 1.0 O A:HOH2081 4.2 25.9 1.0 NZ A:LYS271 4.2 14.0 0.5 C A:LYS267 4.4 15.4 1.0 CD A:LYS271 4.5 14.4 0.5 CE A:LYS271 4.5 13.2 0.5 O A:LYS267 4.6 15.0 1.0 CG A:LYS267 4.7 21.7 1.0 OE1 A:GLU231 4.8 27.6 1.0 O A:ALA263 4.8 18.3 1.0 CD A:LYS271 4.8 14.6 0.5 CD1 A:LEU232 4.8 21.4 1.0 OG A:SER265 4.9 18.2 1.0 CB A:LYS267 4.9 17.6 1.0

Calcium binding site 2 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide


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 Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1358 b:37.9 occ:1.00 OE1 A:GLU222 2.5 25.9 1.0 O A:HOH2161 2.5 15.6 1.0 O A:HOH2162 2.6 11.7 1.0 CD A:GLU222 3.3 23.5 1.0 OE2 A:GLU222 3.4 25.7 1.0 O A:HOH2160 4.0 21.0 1.0 OD1 A:ASN192 4.6 26.7 1.0 CG A:GLU222 4.7 21.5 1.0 O A:MET221 4.7 20.4 1.0

Calcium binding site 3 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Furosemide


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 Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1362 b:65.8 occ:1.00 OG A:SER204 3.5 23.7 0.5 O B:ASP368 3.7 17.2 1.0 O A:SER204 3.7 20.2 1.0 OD2 B:ASP368 3.7 22.0 1.0 C A:SER204 4.0 20.3 1.0 CB A:SER204 4.0 22.5 0.5 N A:LEU206 4.0 18.5 1.0 CB A:SER204 4.0 22.1 0.5 CG B:ASP368 4.1 18.7 1.0 CB B:ASP368 4.1 17.9 1.0 CB A:LEU206 4.3 19.6 1.0 N A:PHE205 4.3 19.4 1.0 O A:HOH2146 4.3 18.5 1.0 CA A:PHE205 4.4 18.0 1.0 C A:PHE205 4.5 18.5 1.0 CG2 A:THR212 4.5 22.2 1.0 CA A:SER204 4.6 21.8 0.5 CA A:LEU206 4.7 19.6 1.0 CA A:SER204 4.7 21.4 0.5 C B:ASP368 4.7 17.0 1.0 OD1 B:ASP368 4.8 18.6 1.0 O B:HOH2006 4.9 37.2 1.0

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


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 Furosemide within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1364 b:70.2 occ:1.00 O A:ALA262 3.4 17.6 1.0 O A:ALA263 3.6 18.3 1.0 O A:MET264 3.8 14.6 1.0 O A:HOH2189 3.9 24.4 1.0 C A:ALA263 4.0 17.2 1.0 NH2 A:ARG35 4.1 16.9 1.0 CB A:SER265 4.2 16.5 1.0 O A:HOH2188 4.3 16.4 1.0 CA A:ALA263 4.4 17.7 1.0 CZ A:ARG35 4.4 16.4 1.0 C A:MET264 4.5 15.4 1.0 O A:HOH2015 4.5 28.5 1.0 C A:ALA262 4.5 17.7 1.0 NH1 A:ARG35 4.6 15.0 1.0 OG A:SER265 4.7 18.2 1.0 O A:HOH2025 4.7 12.9 1.0 N A:MET264 4.7 16.1 1.0 N A:ALA263 4.9 17.4 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