Iodine 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:

Calcium

(Ca)

7 atoms

The binding sites of Iodine 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 Iodine atom.
In total 4 binding sites of Iodine where determined in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein, PDB code: 2xn6:
Jump to Iodine binding site number: 1; 2; 3; 4;

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I1370 b:15.7 occ:0.60 I3 A:T441370 0.0 15.7 0.6 C3 A:T441370 2.1 18.4 0.6 C2 A:T441370 3.0 19.5 0.6 C4 A:T441370 3.1 17.5 0.6 O4 A:T441370 3.2 17.9 0.6 C1' A:T441370 3.6 18.2 0.6 CA B:ARG381 3.8 17.3 1.0 O B:GLU377 3.8 14.7 1.0 CG B:ARG381 4.0 21.6 1.0 CB B:ARG381 4.1 18.5 1.0 C6' A:T441370 4.1 18.0 0.6 C2' A:T441370 4.2 18.3 0.6 CA B:ARG378 4.2 17.9 1.0 CB B:LEU376 4.2 11.4 1.0 C1 A:T441370 4.3 21.4 0.6 C5 A:T441370 4.4 18.0 0.6 CD1 B:LEU376 4.4 18.2 1.0 O B:ARG378 4.4 19.7 1.0 C B:GLU377 4.4 14.6 1.0 C B:ARG381 4.5 15.7 1.0 N B:ARG378 4.7 16.2 1.0 N B:ARG381 4.7 17.3 1.0 C B:ARG378 4.8 19.0 1.0 CG B:LEU376 4.8 14.1 1.0 CG B:ARG378 4.8 20.9 1.0 C6 A:T441370 4.9 19.3 0.6 CD2 A:LEU246 4.9 17.8 1.0 O B:ARG381 5.0 16.9 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I1370 b:19.8 occ:0.60 I3' A:T441370 0.0 19.8 0.6 C3' A:T441370 2.1 18.9 0.6 C2' A:T441370 3.0 18.3 0.6 C4' A:T441370 3.0 18.2 0.6 O4' A:T441370 3.2 18.7 0.6 O A:HOH2219 3.3 21.6 1.0 ND2 A:ASN273 3.6 16.8 1.0 CG A:ASN273 3.9 14.8 1.0 CB A:ASN273 3.9 12.6 1.0 O A:HOH2287 4.0 28.4 1.0 CG A:LYS270 4.1 16.2 1.0 CA A:LYS270 4.3 12.3 1.0 C5' A:T441370 4.3 17.9 0.6 C1' A:T441370 4.4 18.2 0.6 CB A:LYS270 4.6 13.2 1.0 NE B:ARG381 4.6 28.4 1.0 OD1 A:ASN273 4.6 18.6 1.0 C6' A:T441370 4.9 18.0 0.6 O A:LYS270 4.9 12.8 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I1370 b:16.1 occ:0.60 I5 A:T441370 0.0 16.1 0.6 C5 A:T441370 2.1 18.0 0.6 C6 A:T441370 3.0 19.3 0.6 C4 A:T441370 3.0 17.5 0.6 O4 A:T441370 3.2 17.9 0.6 O A:LEU269 3.2 11.0 1.0 C1' A:T441370 3.8 18.2 0.6 N A:ASN273 3.8 10.8 1.0 CD1 A:LEU248 3.9 8.6 0.5 C2' A:T441370 4.0 18.3 0.6 CB A:ASN273 4.0 12.6 1.0 CA A:ASN273 4.0 11.6 1.0 C A:LEU269 4.1 10.8 1.0 CA A:LEU269 4.3 9.8 1.0 CB A:TRP272 4.3 9.5 1.0 CB A:LEU269 4.3 9.9 1.0 CD2 A:LEU248 4.3 11.0 0.5 C1 A:T441370 4.3 21.4 0.6 C3 A:T441370 4.3 18.4 0.6 C A:TRP272 4.4 10.4 1.0 CD2 A:LEU269 4.5 12.1 1.0 CD1 A:LEU276 4.5 12.1 1.0 OD1 A:ASN273 4.7 18.6 1.0 CD1 B:LEU376 4.8 18.2 1.0 CG A:ASN273 4.9 14.8 1.0 C2 A:T441370 4.9 19.5 0.6 C6' A:T441370 4.9 18.0 0.6 CG A:LEU248 4.9 8.8 0.5 CA A:TRP272 4.9 10.1 1.0 CD2 A:LEU248 4.9 8.6 0.5 CG A:LEU269 5.0 9.9 1.0

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


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I 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:I1370 b:17.1 occ:0.60 I5' A:T441370 0.0 17.1 0.6 C5' A:T441370 2.1 17.9 0.6 C4' A:T441370 3.0 18.2 0.6 C6' A:T441370 3.0 18.0 0.6 O4' A:T441370 3.2 18.7 0.6 O A:SER23 3.7 23.7 1.0 CB A:ALA27 3.9 12.6 1.0 C A:SER23 4.0 23.3 1.0 OG A:SER266 4.1 13.8 0.5 O B:ARG381 4.2 16.9 1.0 N A:SER24 4.3 22.6 1.0 CA A:SER24 4.3 21.5 1.0 OG A:SER23 4.3 25.8 1.0 C3' A:T441370 4.3 18.9 0.6 C1' A:T441370 4.3 18.2 0.6 CB A:SER266 4.4 12.0 0.5 CB A:SER23 4.4 24.9 1.0 CB A:SER266 4.5 11.8 0.5 CD1 A:LEU269 4.6 11.7 1.0 OG A:SER24 4.7 23.6 1.0 CB B:ARG381 4.8 18.5 1.0 CA A:SER266 4.8 11.7 0.5 CA A:SER266 4.8 11.4 0.5 C2' A:T441370 4.9 18.3 0.6 CA A:SER23 4.9 24.9 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