Iodine in PDB 2xn7: Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf)

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf), PDB code: 2xn7 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)	87.01 / 1.43
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	174.030, 42.550, 56.220, 90.00, 90.00, 90.00
R / Rfree (%)	19.884 / 21.807

The structure of Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iodine atom in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf) (pdb code 2xn7). 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 (T405-Cf), PDB code: 2xn7:
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 (T405-Cf)


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 (T405-Cf) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1355 b:21.4 occ:0.50 I3 A:T441355 0.0 21.4 0.5 C3 A:T441355 2.1 23.5 0.5 C2 A:T441355 3.0 24.8 0.5 C4 A:T441355 3.1 23.4 0.5 O4 A:T441355 3.3 23.9 0.5 C1' A:T441355 3.6 24.3 0.5 CA B:ARG381 3.7 22.2 1.0 O B:GLU377 3.9 18.5 1.0 CB B:ARG381 4.0 23.8 1.0 CG B:ARG381 4.0 27.0 1.0 C6' A:T441355 4.1 23.8 0.5 CD2 B:LEU376 4.2 22.0 1.0 C2' A:T441355 4.2 24.4 0.5 CB B:LEU376 4.2 14.8 1.0 CA B:ARG378 4.3 22.6 1.0 C1 A:T441355 4.4 26.6 0.5 C B:ARG381 4.4 21.1 1.0 O B:ARG378 4.4 25.3 1.0 C5 A:T441355 4.4 23.5 0.5 CG B:LEU376 4.6 19.0 1.0 C B:GLU377 4.6 18.5 1.0 N B:ARG381 4.6 22.4 1.0 CD1 B:LEU376 4.7 23.6 1.0 O9 A:T441355 4.8 35.6 0.5 O B:ARG381 4.8 22.6 1.0 N B:ARG378 4.8 20.2 1.0 C B:ARG378 4.8 23.9 1.0 CD B:ARG381 4.9 31.6 1.0 CG B:ARG378 4.9 26.6 1.0 CD2 A:LEU246 4.9 22.1 1.0 C6 A:T441355 4.9 24.4 0.5

Iodine binding site 2 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf)


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 (T405-Cf) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1355 b:23.6 occ:0.50 I3' A:T441355 0.0 23.6 0.5 C3' A:T441355 2.1 24.1 0.5 C2' A:T441355 3.0 24.4 0.5 C4' A:T441355 3.1 24.6 0.5 O4' A:T441355 3.2 24.4 0.5 OG A:SER266 3.8 15.9 0.5 CA A:SER24 3.9 24.0 1.0 CB A:ALA27 3.9 15.3 1.0 CB A:SER24 4.2 24.5 1.0 CB A:SER266 4.2 14.2 0.5 CB A:SER266 4.3 14.2 0.5 O B:ARG381 4.3 22.6 1.0 C1' A:T441355 4.4 24.3 0.5 OG A:SER24 4.4 26.7 1.0 N A:SER24 4.4 24.3 1.0 C5' A:T441355 4.4 24.5 0.5 O A:SER23 4.4 24.1 1.0 CD1 A:LEU269 4.5 16.1 1.0 CA A:SER266 4.6 13.9 0.5 CA A:SER266 4.6 13.9 0.5 C A:SER23 4.7 25.9 1.0 C6' A:T441355 4.9 23.8 0.5 CB A:LEU269 4.9 11.4 1.0 O A:SER266 5.0 13.8 1.0 C A:SER24 5.0 22.8 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf)


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 (T405-Cf) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1355 b:20.8 occ:0.50 I5 A:T441355 0.0 20.8 0.5 C5 A:T441355 2.1 23.5 0.5 C4 A:T441355 3.1 23.4 0.5 C6 A:T441355 3.1 24.4 0.5 O4 A:T441355 3.2 23.9 0.5 O A:LEU269 3.3 12.6 1.0 CD1 A:LEU248 3.7 11.6 0.5 C1' A:T441355 3.8 24.3 0.5 N A:ASN273 3.9 13.1 1.0 C6' A:T441355 4.0 23.8 0.5 CB A:ASN273 4.0 16.0 1.0 CA A:ASN273 4.1 14.7 1.0 C A:LEU269 4.1 12.2 1.0 CA A:LEU269 4.3 12.0 1.0 CD2 A:LEU248 4.3 13.4 0.5 CB A:LEU269 4.3 11.4 1.0 CB A:TRP272 4.3 11.8 1.0 C1 A:T441355 4.4 26.6 0.5 C3 A:T441355 4.4 23.5 0.5 C A:TRP272 4.5 12.0 1.0 CD1 A:LEU276 4.5 15.5 1.0 CD2 A:LEU269 4.5 14.3 1.0 ND2 A:ASN273 4.6 23.1 1.0 CD1 A:LEU248 4.8 12.9 0.5 CD2 A:LEU248 4.8 12.4 0.5 CG A:LEU248 4.8 12.0 0.5 C2' A:T441355 4.8 24.4 0.5 CG A:ASN273 4.9 19.2 1.0 C2 A:T441355 4.9 24.8 0.5 CA A:TRP272 5.0 12.3 1.0 CG A:LEU269 5.0 12.7 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Thyroxine-Binding Globulin Complexed with Thyroxine-Fluoresein (T405-Cf)


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 (T405-Cf) within 5.0Å range: probe atom residue distance (Å) B Occ A:I1355 b:24.1 occ:0.50 I5' A:T441355 0.0 24.1 0.5 C5' A:T441355 2.1 24.5 0.5 C4' A:T441355 3.0 24.6 0.5 C6' A:T441355 3.1 23.8 0.5 O4' A:T441355 3.2 24.4 0.5 O A:HOH2205 3.3 16.7 1.0 OD1 A:ASN273 3.7 25.3 1.0 NH1 B:ARG381 3.8 40.4 1.0 CG A:ASN273 3.9 19.2 1.0 CB A:ASN273 4.0 16.0 1.0 CA A:LYS270 4.3 13.8 1.0 CZ B:ARG381 4.3 38.4 1.0 CG A:LYS270 4.4 20.8 1.0 C1' A:T441355 4.4 24.3 0.5 C3' A:T441355 4.4 24.1 0.5 CB A:LYS270 4.6 15.6 1.0 NZ A:LYS270 4.6 31.3 1.0 ND2 A:ASN273 4.6 23.1 1.0 NE B:ARG381 4.7 34.6 1.0 CD B:ARG381 4.8 31.6 1.0 C2' A:T441355 4.9 24.4 0.5 NH2 B:ARG381 5.0 39.7 1.0 O A:LYS270 5.0 14.0 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