Iodine in PDB 4x30: Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution

The structure of Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution, PDB code: 4x30 was solved by X.Qi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.49 / 1.55
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	65.460, 65.460, 202.710, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 20.5

The structure of Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution also contains other interesting chemical elements:

Fluorine	(F)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iodine atom in the Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution (pdb code 4x30). 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 Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution, PDB code: 4x30:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution


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 Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:24.4 occ:1.00 I3 A:T44401 0.0 24.4 1.0 C3 A:T44401 2.1 20.1 1.0 C2 A:T44401 3.0 21.7 1.0 C4 A:T44401 3.1 19.7 1.0 O4 A:T44401 3.3 18.5 1.0 O A:GLU377 3.7 13.2 1.0 C1' A:T44401 3.8 18.5 1.0 CA A:ARG378 4.0 16.4 1.0 CG A:ARG381 4.0 15.7 1.0 CA A:ARG381 4.0 13.0 1.0 CB A:LEU376 4.0 13.2 1.0 O A:HOH594 4.1 26.3 1.0 C A:GLU377 4.1 13.9 1.0 C6' A:T44401 4.2 17.8 1.0 C1 A:T44401 4.3 21.3 1.0 N A:ARG378 4.3 15.0 1.0 CB A:ARG381 4.3 14.6 1.0 O A:HOH675 4.4 23.2 1.0 C2' A:T44401 4.4 18.7 1.0 C5 A:T44401 4.4 18.5 1.0 CD1 A:LEU376 4.5 16.9 1.0 CD2 A:LEU246 4.5 15.5 1.0 O A:ARG378 4.6 16.1 1.0 N A:GLU377 4.7 13.0 1.0 O9 A:T44401 4.7 31.2 1.0 C A:ARG378 4.7 16.2 1.0 CG A:LEU376 4.8 14.7 1.0 N A:ARG381 4.8 13.3 1.0 C A:ARG381 4.9 12.9 1.0 CB A:ARG378 4.9 19.4 1.0 CG A:ARG378 4.9 23.2 1.0 C6 A:T44401 4.9 20.2 1.0 C A:LEU376 5.0 13.0 1.0

Iodine binding site 2 out of 4 in the Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution


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 Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:24.1 occ:1.00 I3' A:T44401 0.0 24.1 1.0 C3' A:T44401 2.1 19.2 1.0 C4' A:T44401 3.0 18.7 1.0 C2' A:T44401 3.1 18.7 1.0 O4' A:T44401 3.1 19.4 1.0 CG A:ASN273 3.8 18.0 1.0 ND2 A:ASN273 3.9 20.2 1.0 CB A:ASN273 3.9 16.0 1.0 CG A:LYS270 3.9 19.7 1.0 CZ A:ARG381 4.0 21.9 1.0 NH2 A:ARG381 4.1 21.1 1.0 O A:HOH658 4.1 25.3 1.0 NH1 A:ARG381 4.2 22.8 1.0 OD1 A:ASN273 4.2 20.4 1.0 NE A:ARG381 4.3 19.8 1.0 CA A:LYS270 4.4 15.2 1.0 C5' A:T44401 4.4 16.7 1.0 C1' A:T44401 4.4 18.5 1.0 O A:HOH554 4.4 38.4 1.0 CB A:LYS270 4.6 17.2 1.0 CD A:ARG381 4.8 17.7 1.0 O A:HOH635 4.9 20.5 1.0 C6' A:T44401 4.9 17.8 1.0

Iodine binding site 3 out of 4 in the Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution


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 Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:19.4 occ:1.00 I5 A:T44401 0.0 19.4 1.0 C5 A:T44401 2.1 18.5 1.0 C4 A:T44401 3.0 19.7 1.0 C6 A:T44401 3.0 20.2 1.0 O4 A:T44401 3.2 18.5 1.0 O A:LEU269 3.4 13.1 1.0 C1' A:T44401 3.7 18.5 1.0 N A:ASN273 3.8 13.8 1.0 C2' A:T44401 3.9 18.7 1.0 CA A:ASN273 4.0 15.0 1.0 CB A:ASN273 4.1 16.0 1.0 CD1 A:LEU248 4.1 13.5 1.0 C A:LEU269 4.3 13.8 1.0 OD1 A:ASN273 4.3 20.4 1.0 CB A:TRP272 4.3 13.5 1.0 C1 A:T44401 4.3 21.3 1.0 C3 A:T44401 4.4 20.1 1.0 CA A:LEU269 4.4 13.0 1.0 C A:TRP272 4.4 13.5 1.0 CB A:LEU269 4.5 13.0 1.0 CD1 A:LEU276 4.5 13.2 1.0 CD2 A:LEU269 4.5 13.4 1.0 CD1 A:LEU376 4.6 16.9 1.0 CG A:ASN273 4.7 18.0 1.0 C6' A:T44401 4.8 17.8 1.0 C2 A:T44401 4.9 21.7 1.0 CA A:TRP272 4.9 13.8 1.0 O A:TRP272 5.0 13.5 1.0

Iodine binding site 4 out of 4 in the Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution


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 Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:I401 b:18.7 occ:1.00 I5' A:T44401 0.0 18.7 1.0 C5' A:T44401 2.1 16.7 1.0 C4' A:T44401 3.0 18.7 1.0 C6' A:T44401 3.1 17.8 1.0 O4' A:T44401 3.2 19.4 1.0 O A:SER23 3.6 11.6 1.0 O A:HOH675 3.6 23.2 1.0 NZ A:LYS270 3.7 22.1 1.0 C A:SER23 3.9 11.8 1.0 CB A:ALA27 3.9 10.2 1.0 O A:HOH635 4.0 20.5 1.0 N A:SER24 4.1 12.0 0.5 N A:SER24 4.1 11.7 0.5 CA A:SER24 4.1 12.1 0.5 O A:ARG381 4.2 15.3 1.0 CA A:SER24 4.2 11.7 0.5 CB A:SER23 4.2 13.0 1.0 OG A:SER23 4.3 14.5 1.0 CD1 A:LEU269 4.3 12.7 1.0 C1' A:T44401 4.4 18.5 1.0 C3' A:T44401 4.4 19.2 1.0 O A:HOH641 4.4 13.0 1.0 OG A:SER24 4.5 12.4 0.5 CB A:ARG381 4.5 14.6 1.0 CA A:SER23 4.6 12.4 1.0 CB A:SER266 4.7 15.3 1.0 CB A:SER24 4.9 12.9 0.5 C2' A:T44401 4.9 18.7 1.0 CD A:ARG381 5.0 17.7 1.0 CB A:SER24 5.0 12.2 0.5 CB A:LEU269 5.0 13.0 1.0

X.Qi, A.Zhou. Crystal Structure of Human Thyroxine-Binding Globulin Complexed with Thyroine at 1.55 Angstrom Resolution To Be Published.