Iodine in PDB 2h77: Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group

The structure of Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group, PDB code: 2h77 was solved by A.S.Nascimento, S.M.G.Dias, F.M.Nunes, R.Aparicio, L.Bleicher, A.L.B.Ambrosio, A.C.M.Figueira, M.A.M.Santos, M.O.Neto, H.Fischer, H.F.M.Togashi, A.F.Craievich, R.C.Garrat, J.D.Baxter, P.Webb, I.Polikarpov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.22 / 2.33
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	117.569, 80.626, 62.614, 90.00, 121.09, 90.00
R / Rfree (%)	18.7 / 23.8

The structure of Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group also contains other interesting chemical elements:

Arsenic

(As)

4 atoms

The binding sites of Iodine atom in the Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group (pdb code 2h77). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group, PDB code: 2h77:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group


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 Tr Alpha Bound T3 in Monoclinic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:48.6 occ:1.00 I1 A:T31 0.0 48.6 1.0 C5 A:T31 2.1 52.4 1.0 C3 A:T31 3.0 53.5 1.0 C7 A:T31 3.1 51.5 1.0 O A:PHE218 3.1 45.5 1.0 O2 A:T31 3.2 51.0 1.0 C2 A:T31 3.7 43.9 1.0 C A:PHE218 3.8 46.7 1.0 CG1 A:ILE221 4.0 47.6 1.0 CB A:PHE218 4.0 47.1 1.0 CA A:PHE218 4.1 46.9 1.0 CB A:ILE222 4.1 45.8 1.0 CG1 A:ILE222 4.1 46.5 1.0 CD1 A:ILE222 4.1 40.5 1.0 C4 A:T31 4.1 41.0 1.0 CD1 A:LEU276 4.2 40.5 1.0 CA A:ILE222 4.2 46.1 1.0 C1 A:T31 4.3 52.8 1.0 C12 A:T31 4.3 44.4 1.0 N A:ILE222 4.4 45.3 1.0 C9 A:T31 4.4 53.9 1.0 CD1 A:ILE221 4.4 47.0 1.0 C A:ILE221 4.8 46.0 1.0 N A:THR219 4.8 47.0 1.0 C11 A:T31 4.9 52.7 1.0 CG A:PHE218 4.9 47.6 1.0 C6 A:T31 5.0 46.3 1.0

Iodine binding site 2 out of 3 in the Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group


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 Tr Alpha Bound T3 in Monoclinic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:48.8 occ:1.00 I2 A:T31 0.0 48.8 1.0 C6 A:T31 2.1 46.3 1.0 C8 A:T31 3.0 49.4 1.0 C4 A:T31 3.0 41.0 1.0 O1 A:T31 3.3 43.2 1.0 O A:GLY290 3.5 42.1 1.0 CE1 A:CAS388 4.0 83.5 1.0 C10 A:T31 4.1 46.8 1.0 CA A:GLY291 4.1 41.1 1.0 CD1 A:PHE215 4.2 44.6 1.0 C2 A:T31 4.3 43.9 1.0 CD2 A:LEU292 4.3 38.3 1.0 C A:GLY290 4.3 42.7 1.0 CG A:LEU292 4.4 38.5 1.0 CB A:PHE218 4.5 47.1 1.0 C A:GLY291 4.5 41.3 1.0 CD1 A:PHE218 4.5 46.4 1.0 CE1 A:PHE215 4.5 47.1 1.0 N A:LEU292 4.6 41.1 1.0 CE2 A:CAS388 4.6 82.0 1.0 N A:GLY291 4.7 42.2 1.0 C12 A:T31 4.8 44.4 1.0 CZ A:PHE401 4.8 45.6 1.0 AS A:CAS388 4.9 89.6 1.0 CG2 A:THR219 4.9 48.9 1.0 CG A:PHE218 4.9 47.6 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of Human Tr Alpha Bound T3 in Monoclinic Space Group


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 Tr Alpha Bound T3 in Monoclinic Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:58.4 occ:1.00 I3 A:T31 0.0 58.4 1.0 C9 A:T31 2.2 53.9 1.0 C11 A:T31 3.1 52.7 1.0 C7 A:T31 3.2 51.5 1.0 O2 A:T31 3.5 51.0 1.0 CD1 A:ILE299 3.9 43.6 1.0 CE A:MET256 3.9 46.0 1.0 OG A:SER260 4.1 39.6 0.5 CA A:SER260 4.1 39.4 1.0 C2 A:T31 4.1 43.9 1.0 CB A:ALA263 4.1 39.2 1.0 C12 A:T31 4.2 44.4 1.0 CD2 A:LEU276 4.3 41.4 1.0 CD1 A:LEU292 4.3 36.8 1.0 O A:MET259 4.4 42.1 1.0 N A:SER260 4.4 39.4 1.0 C1 A:T31 4.5 52.8 1.0 C5 A:T31 4.5 52.4 1.0 C A:MET259 4.6 41.5 1.0 CB A:SER260 4.6 38.0 1.0 SD A:MET256 4.6 44.6 1.0 C3 A:T31 4.7 53.5 1.0 CD2 A:LEU287 4.7 46.7 1.0 CG2 A:ILE299 4.8 42.9 1.0 CG1 A:ILE299 4.8 43.6 1.0

A.S.Nascimento, S.M.G.Dias, F.M.Nunes, R.Aparicio, A.L.B.Ambrosio, L.Bleicher, A.C.M.Figueira, M.A.M.Santos, M.O.Neto, H.Fischer, M.Togashi, A.F.Craievich, R.C.Garratt, J.D.Baxter, P.Webb, I.Polikarpov. Structural Rearrangements in the Thyroid Hormone Receptor Hinge Domain and Their Putative Role in the Receptor Function. J.Mol.Biol. V. 360 586 2006.
ISSN: ISSN 0022-2836
PubMed: 16781732
DOI: 10.1016/J.JMB.2006.05.008