Iodine in PDB 3b65: Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with Sarm S-24

The structure of Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with Sarm S-24, PDB code: 3b65 was solved by C.E.Bohl, D.D.Miller, J.T.Dalton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.32 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.639, 66.712, 69.042, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 29.2

The binding sites of Iodine atom in the Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with Sarm S-24 (pdb code 3b65). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with Sarm S-24, PDB code: 3b65:

Iodine binding site 1 out of 1 in the Crystal Structure of the Androgen Receptor Ligand Binding Domain in Complex with Sarm S-24


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 the Androgen Receptor Ligand Binding Domain in Complex with Sarm S-24 within 5.0Å range: probe atom residue distance (Å) B Occ A:I1 b:24.0 occ:1.00 I7 A:3B61 0.0 24.0 1.0 C4 A:3B61 2.1 17.7 1.0 C5 A:3B61 3.0 18.5 1.0 C3 A:3B61 3.1 15.4 1.0 C8 A:3B61 3.3 16.4 1.0 N8 A:3B61 3.8 18.1 1.0 CG2 A:VAL746 3.9 10.7 1.0 CA A:VAL746 3.9 12.4 1.0 N A:VAL746 3.9 13.6 1.0 CE2 A:PHE764 3.9 17.5 1.0 SD A:MET787 4.0 18.6 1.0 C A:MET745 4.1 13.1 1.0 O A:MET745 4.2 15.4 1.0 CB A:MET745 4.2 15.3 1.0 CD1 A:LEU873 4.3 15.9 1.0 CD2 A:PHE764 4.3 15.6 1.0 C2 A:3B61 4.4 17.4 1.0 C6 A:3B61 4.4 17.9 1.0 CB A:VAL746 4.5 12.0 1.0 CE A:MET749 4.6 17.0 1.0 CB A:MET749 4.6 15.6 1.0 CE A:MET787 4.6 10.9 1.0 CA A:MET745 4.8 14.1 1.0 CG A:MET749 4.8 15.0 1.0 C1 A:3B61 4.9 16.1 1.0 SD A:MET742 5.0 18.0 1.0

C.E.Bohl, Z.Wu, J.Chen, M.L.Mohler, J.Yang, D.J.Hwang, S.Mustafa, D.D.Miller, C.E.Bell, J.T.Dalton. Effect of B-Ring Substitution Pattern on Binding Mode of Propionamide Selective Androgen Receptor Modulators Bioorg.Med.Chem.Lett. V. 18 5567 2008.
ISSN: ISSN 0960-894X
PubMed: 18805694
DOI: 10.1016/J.BMCL.2008.09.002