Iodine in PDB 2riw: The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine

The structure of The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine, PDB code: 2riw was solved by A.Zhou, Z.Wei, P.L.D.Stanley, R.J.Read, P.E.Stein, R.W.Carrell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.11 / 2.04
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	173.594, 42.164, 55.980, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 24.4

The binding sites of Iodine atom in the The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine (pdb code 2riw). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 4 binding sites of Iodine where determined in the The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine, PDB code: 2riw:
Jump to Iodine binding site number: 1; 2; 3; 4;

Iodine binding site 1 out of 4 in the The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I1395 b:18.7 occ:1.00 I3 A:T441395 0.0 18.7 1.0 C3 A:T441395 2.1 17.6 1.0 C4 A:T441395 3.0 15.3 1.0 C2 A:T441395 3.1 16.6 1.0 O4 A:T441395 3.2 17.5 1.0 C1' A:T441395 3.6 18.1 1.0 CA B:ARG381 3.9 14.8 1.0 O B:GLU377 4.0 15.2 1.0 CG B:ARG381 4.0 16.2 1.0 CA B:ARG378 4.1 16.7 1.0 CD2 B:LEU376 4.1 17.4 1.0 O B:ARG378 4.1 15.9 1.0 C2' A:T441395 4.2 17.4 1.0 C6' A:T441395 4.2 18.1 1.0 CB B:LEU376 4.2 15.0 1.0 CB B:ARG381 4.3 15.3 1.0 O A:HOH1659 4.3 40.9 1.0 CD2 A:LEU246 4.4 16.8 1.0 C1 A:T441395 4.4 17.2 1.0 C5 A:T441395 4.4 16.8 1.0 C B:GLU377 4.5 15.6 1.0 C B:ARG378 4.6 16.2 1.0 CG B:LEU376 4.6 17.7 1.0 N B:ARG378 4.7 16.3 1.0 C B:ARG381 4.7 14.8 1.0 N B:ARG381 4.8 14.3 1.0 CG B:ARG378 4.8 20.0 1.0 CD1 B:LEU376 4.8 16.2 1.0 CB B:ARG378 4.9 17.1 1.0 C6 A:T441395 4.9 16.1 1.0

Iodine binding site 2 out of 4 in the The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I1395 b:19.5 occ:1.00 I3' A:T441395 0.0 19.5 1.0 C3' A:T441395 2.1 18.4 1.0 C4' A:T441395 3.0 18.1 1.0 C2' A:T441395 3.1 17.4 1.0 O4' A:T441395 3.2 17.0 1.0 ND2 A:ASN273 3.6 16.3 1.0 CG A:ASN273 3.9 17.8 1.0 O A:HOH1405 3.9 21.0 1.0 CB A:ASN273 4.0 15.9 1.0 NH1 B:ARG381 4.0 20.4 1.0 O A:HOH1588 4.0 28.0 1.0 CZ B:ARG381 4.0 20.0 1.0 CG A:LYS270 4.1 18.0 1.0 O A:HOH1659 4.2 40.9 1.0 O B:HOH276 4.3 46.0 1.0 NE B:ARG381 4.3 19.3 1.0 C1' A:T441395 4.4 18.1 1.0 CA A:LYS270 4.4 15.0 1.0 C5' A:T441395 4.4 19.2 1.0 NH2 B:ARG381 4.4 17.1 1.0 OD1 A:ASN273 4.5 17.7 1.0 CD B:ARG381 4.6 19.1 1.0 CB A:LYS270 4.7 15.7 1.0 C6' A:T441395 4.9 18.1 1.0

Iodine binding site 3 out of 4 in the The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I1395 b:16.7 occ:1.00 I5 A:T441395 0.0 16.7 1.0 C5 A:T441395 2.1 16.8 1.0 C4 A:T441395 3.1 15.3 1.0 C6 A:T441395 3.1 16.1 1.0 O4 A:T441395 3.2 17.5 1.0 O A:LEU269 3.3 14.1 1.0 C1' A:T441395 3.8 18.1 1.0 C2' A:T441395 3.9 17.4 1.0 CD1 A:LEU248 3.9 17.9 1.0 N A:ASN273 4.0 15.1 1.0 CB A:ASN273 4.1 15.9 1.0 CA A:ASN273 4.1 16.0 1.0 C A:LEU269 4.2 14.5 1.0 OD1 A:ASN273 4.2 17.7 1.0 CB A:LEU269 4.4 14.7 1.0 CA A:LEU269 4.4 14.5 1.0 C1 A:T441395 4.4 17.2 1.0 CD1 A:LEU276 4.4 13.7 1.0 C3 A:T441395 4.4 17.6 1.0 CB A:TRP272 4.4 13.9 1.0 CD2 A:LEU269 4.6 14.2 1.0 C A:TRP272 4.6 14.7 1.0 CG A:ASN273 4.6 17.8 1.0 CG A:LEU248 4.8 19.5 1.0 C6' A:T441395 4.8 18.1 1.0 CD2 A:LEU248 4.9 18.3 1.0 C2 A:T441395 4.9 16.6 1.0

Iodine binding site 4 out of 4 in the The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of The Reactive Loop Cleaved Human Thyroxine Binding Globulin Complexed with Thyroxine within 5.0Å range: probe atom residue distance (Å) B Occ A:I1395 b:19.6 occ:1.00 I5' A:T441395 0.0 19.6 1.0 C5' A:T441395 2.1 19.2 1.0 C4' A:T441395 3.0 18.1 1.0 C6' A:T441395 3.1 18.1 1.0 O4' A:T441395 3.2 17.0 1.0 O A:SER23 3.7 22.9 1.0 CB A:ALA27 3.8 16.1 1.0 O A:HOH1478 3.9 25.6 1.0 C A:SER23 4.1 23.0 1.0 O A:HOH1413 4.1 19.8 1.0 O B:ARG381 4.2 15.5 1.0 OG A:SER23 4.2 24.6 1.0 CD1 A:LEU269 4.3 14.2 1.0 OG A:SER266 4.3 13.6 0.5 N A:SER24 4.3 21.7 1.0 CA A:SER24 4.4 20.9 1.0 C1' A:T441395 4.4 18.1 1.0 C3' A:T441395 4.4 18.4 1.0 CB A:SER23 4.5 24.6 1.0 CB A:SER266 4.6 12.7 0.5 CB A:SER266 4.7 13.1 0.5 CB B:ARG381 4.7 15.3 1.0 OG A:SER24 4.8 22.8 1.0 CA A:SER23 4.9 24.6 1.0 CA A:SER266 4.9 12.7 0.5 CA A:SER266 4.9 13.1 0.5 C2' A:T441395 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