Iodine in PDB 1bsx: Structure and Specificity of Nuclear Receptor-Coactivator Interactions

The structure of Structure and Specificity of Nuclear Receptor-Coactivator Interactions, PDB code: 1bsx was solved by R.L.Wagner, B.D.Darimont, J.W.Apriletti, M.R.Stallcup, P.J.Kushner, J.D.Baxter, R.J.Fletterick, K.R.Yamamoto, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 3.70
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	95.200, 95.200, 137.600, 90.00, 90.00, 120.00
R / Rfree (%)	24.9 / 29.9

The binding sites of Iodine atom in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions (pdb code 1bsx). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 6 binding sites of Iodine where determined in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions, PDB code: 1bsx:
Jump to Iodine binding site number: 1; 2; 3; 4; 5; 6;

Iodine binding site 1 out of 6 in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure and Specificity of Nuclear Receptor-Coactivator Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:42.1 occ:1.00 I1 A:T31 0.0 42.1 1.0 C5 A:T31 2.1 36.6 1.0 C3 A:T31 3.0 36.6 1.0 C7 A:T31 3.1 36.6 1.0 O2 A:T31 3.2 36.6 1.0 O A:PHE272 3.3 52.8 1.0 C2 A:T31 3.6 36.6 1.0 CD1 A:ILE276 3.9 70.0 1.0 CG1 A:ILE275 3.9 58.3 1.0 CD2 A:LEU330 4.0 60.9 1.0 C A:PHE272 4.0 52.8 1.0 CB A:ILE276 4.0 70.0 1.0 CA A:ILE276 4.0 66.1 1.0 C4 A:T31 4.1 36.6 1.0 N A:ILE276 4.1 66.1 1.0 CA A:PHE272 4.3 52.8 1.0 C12 A:T31 4.3 36.6 1.0 CD1 A:ILE275 4.3 58.3 1.0 CB A:PHE272 4.3 51.0 1.0 C1 A:T31 4.4 36.6 1.0 C9 A:T31 4.4 36.6 1.0 CG1 A:ILE276 4.5 70.0 1.0 C A:ILE275 4.8 66.2 1.0 CG A:LEU330 4.9 60.9 1.0 C11 A:T31 4.9 36.6 1.0 CB A:LEU330 4.9 60.9 1.0 N A:THR273 4.9 57.2 1.0 C6 A:T31 5.0 36.6 1.0 CG A:PHE272 5.0 51.0 1.0

Iodine binding site 2 out of 6 in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Structure and Specificity of Nuclear Receptor-Coactivator Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:42.1 occ:1.00 I2 A:T31 0.0 42.1 1.0 C6 A:T31 2.0 36.6 1.0 C4 A:T31 3.0 36.6 1.0 C8 A:T31 3.0 36.6 1.0 O1 A:T31 3.1 36.6 1.0 CD2 A:LEU346 3.9 50.9 1.0 O A:GLY344 4.0 52.0 1.0 SD A:MET442 4.0 70.5 1.0 CD1 A:PHE269 4.1 51.7 1.0 CD2 A:PHE272 4.2 51.0 1.0 C2 A:T31 4.2 36.6 1.0 CB A:PHE272 4.3 51.0 1.0 C10 A:T31 4.3 36.6 1.0 CE1 A:PHE269 4.3 51.7 1.0 CG A:LEU346 4.4 50.9 1.0 CA A:GLY345 4.5 50.2 1.0 C A:GLY344 4.5 52.0 1.0 N A:LEU346 4.6 49.7 1.0 CG A:PHE272 4.7 51.0 1.0 C A:GLY345 4.8 50.2 1.0 N A:GLY345 4.8 50.2 1.0 C12 A:T31 4.8 36.6 1.0 O A:PHE269 5.0 60.3 1.0

Iodine binding site 3 out of 6 in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Structure and Specificity of Nuclear Receptor-Coactivator Interactions within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:42.1 occ:1.00 I3 A:T31 0.0 42.1 1.0 C9 A:T31 2.0 36.6 1.0 C7 A:T31 3.0 36.6 1.0 C11 A:T31 3.0 36.6 1.0 O2 A:T31 3.2 36.6 1.0 CD1 A:ILE353 3.6 39.8 1.0 C2 A:T31 3.8 36.6 1.0 CE A:MET310 3.9 39.9 1.0 C12 A:T31 3.9 36.6 1.0 CA A:SER314 4.0 38.3 1.0 CB A:SER314 4.0 50.0 1.0 CD1 A:LEU346 4.2 50.9 1.0 C5 A:T31 4.3 36.6 1.0 C1 A:T31 4.4 36.6 1.0 N A:SER314 4.5 38.3 1.0 CB A:ALA317 4.6 36.4 1.0 CG2 A:ILE353 4.8 39.8 1.0 CD2 A:LEU341 4.8 51.6 1.0 SD A:MET310 4.8 39.9 1.0 C3 A:T31 4.9 36.6 1.0 C4 A:T31 4.9 36.6 1.0 CD1 A:LEU341 4.9 51.6 1.0 CG1 A:ILE353 4.9 39.8 1.0

Iodine binding site 4 out of 6 in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 4 of Structure and Specificity of Nuclear Receptor-Coactivator Interactions within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:42.1 occ:1.00 I1 B:T32 0.0 42.1 1.0 C5 B:T32 2.1 36.6 1.0 C3 B:T32 3.0 36.6 1.0 C7 B:T32 3.1 36.6 1.0 O2 B:T32 3.2 36.6 1.0 O B:PHE272 3.3 52.8 1.0 C2 B:T32 3.6 36.6 1.0 CD1 B:ILE276 3.9 70.0 1.0 CG1 B:ILE275 3.9 58.3 1.0 CD2 B:LEU330 4.0 60.9 1.0 C B:PHE272 4.0 52.8 1.0 CB B:ILE276 4.0 70.0 1.0 CA B:ILE276 4.0 66.1 1.0 C4 B:T32 4.1 36.6 1.0 N B:ILE276 4.1 66.1 1.0 CA B:PHE272 4.3 52.8 1.0 C12 B:T32 4.3 36.6 1.0 CD1 B:ILE275 4.3 58.3 1.0 CB B:PHE272 4.3 51.0 1.0 C1 B:T32 4.4 36.6 1.0 C9 B:T32 4.4 36.6 1.0 CG1 B:ILE276 4.5 70.0 1.0 C B:ILE275 4.8 66.2 1.0 CG B:LEU330 4.9 60.9 1.0 C11 B:T32 4.9 36.6 1.0 CB B:LEU330 4.9 60.9 1.0 N B:THR273 4.9 57.2 1.0 C6 B:T32 5.0 36.6 1.0 CG B:PHE272 5.0 51.0 1.0

Iodine binding site 5 out of 6 in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 5 of Structure and Specificity of Nuclear Receptor-Coactivator Interactions within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:42.1 occ:1.00 I2 B:T32 0.0 42.1 1.0 C6 B:T32 2.0 36.6 1.0 C4 B:T32 3.0 36.6 1.0 C8 B:T32 3.0 36.6 1.0 O1 B:T32 3.1 36.6 1.0 CD2 B:LEU346 3.9 50.9 1.0 O B:GLY344 4.0 52.0 1.0 SD B:MET442 4.0 70.5 1.0 CD1 B:PHE269 4.1 51.7 1.0 CD2 B:PHE272 4.2 51.0 1.0 C2 B:T32 4.2 36.6 1.0 CB B:PHE272 4.3 51.0 1.0 C10 B:T32 4.3 36.6 1.0 CE1 B:PHE269 4.3 51.7 1.0 CG B:LEU346 4.4 50.9 1.0 CA B:GLY345 4.5 50.2 1.0 C B:GLY344 4.5 52.0 1.0 N B:LEU346 4.6 49.7 1.0 CG B:PHE272 4.7 51.0 1.0 C B:GLY345 4.8 50.2 1.0 N B:GLY345 4.8 50.2 1.0 C12 B:T32 4.8 36.6 1.0 O B:PHE269 5.0 60.3 1.0

Iodine binding site 6 out of 6 in the Structure and Specificity of Nuclear Receptor-Coactivator Interactions


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 6 of Structure and Specificity of Nuclear Receptor-Coactivator Interactions within 5.0Å range: probe atom residue distance (Å) B Occ B:I2 b:42.1 occ:1.00 I3 B:T32 0.0 42.1 1.0 C9 B:T32 2.0 36.6 1.0 C7 B:T32 3.0 36.6 1.0 C11 B:T32 3.0 36.6 1.0 O2 B:T32 3.2 36.6 1.0 CD1 B:ILE353 3.6 39.8 1.0 C2 B:T32 3.8 36.6 1.0 CE B:MET310 3.9 39.9 1.0 C12 B:T32 3.9 36.6 1.0 CA B:SER314 4.0 38.3 1.0 CB B:SER314 4.0 50.0 1.0 CD1 B:LEU346 4.2 50.9 1.0 C5 B:T32 4.3 36.6 1.0 C1 B:T32 4.4 36.6 1.0 N B:SER314 4.5 38.3 1.0 CB B:ALA317 4.6 36.4 1.0 CG2 B:ILE353 4.8 39.8 1.0 CD2 B:LEU341 4.8 51.6 1.0 SD B:MET310 4.8 39.9 1.0 C3 B:T32 4.9 36.6 1.0 C4 B:T32 4.9 36.6 1.0 CD1 B:LEU341 4.9 51.6 1.0 CG1 B:ILE353 4.9 39.8 1.0

B.D.Darimont, R.L.Wagner, J.W.Apriletti, M.R.Stallcup, P.J.Kushner, J.D.Baxter, R.J.Fletterick, K.R.Yamamoto. Structure and Specificity of Nuclear Receptor-Coactivator Interactions. Genes Dev. V. 12 3343 1998.
ISSN: ISSN 0890-9369
PubMed: 9808622