Iodine in PDB 2piv: Androgen Receptor with Small Molecule

The structure of Androgen Receptor with Small Molecule, PDB code: 2piv was solved by E.Estebanez-Perpina, A.A.Arnold, J.D.Baxter, P.Webb, R.K.Guy, K.R.Fletterick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.400, 66.020, 72.700, 90.00, 90.00, 90.00
R / Rfree (%)	23 / 25

The binding sites of Iodine atom in the Androgen Receptor with Small Molecule (pdb code 2piv). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Androgen Receptor with Small Molecule, PDB code: 2piv:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Androgen Receptor with Small Molecule


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Androgen Receptor with Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:I933 b:87.8 occ:1.00 I1 A:T3933 0.0 87.8 1.0 C5 A:T3933 2.1 78.9 1.0 C3 A:T3933 3.0 73.7 1.0 C7 A:T3933 3.1 77.4 1.0 O2 A:T3933 3.3 74.9 1.0 C2 A:T3933 3.4 75.4 1.0 C12 A:T3933 3.6 73.7 1.0 C4 A:T3933 4.0 78.7 1.0 C10 A:T3933 4.3 75.1 1.0 C1 A:T3933 4.4 70.0 1.0 C9 A:T3933 4.4 76.9 1.0 C6 A:T3933 4.6 81.5 1.0 C8 A:T3933 4.8 80.2 1.0 C11 A:T3933 5.0 72.2 1.0

Iodine binding site 2 out of 3 in the Androgen Receptor with Small Molecule


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Androgen Receptor with Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:I933 b:95.3 occ:1.00 I2 A:T3933 0.0 95.3 1.0 C6 A:T3933 2.1 81.5 1.0 C4 A:T3933 3.0 78.7 1.0 C8 A:T3933 3.1 80.2 1.0 O1 A:T3933 3.2 80.7 1.0 CA A:GLY724 3.5 32.9 1.0 N A:GLY724 3.6 32.6 1.0 C2 A:T3933 4.3 75.4 1.0 C10 A:T3933 4.4 75.1 1.0 C A:PRO723 4.7 32.8 1.0 C A:GLY724 4.8 34.8 1.0 C12 A:T3933 4.9 73.7 1.0

Iodine binding site 3 out of 3 in the Androgen Receptor with Small Molecule


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Androgen Receptor with Small Molecule within 5.0Å range: probe atom residue distance (Å) B Occ A:I933 b:79.2 occ:1.00 I3 A:T3933 0.0 79.2 1.0 C9 A:T3933 2.1 76.9 1.0 C7 A:T3933 3.1 77.4 1.0 C11 A:T3933 3.1 72.2 1.0 O2 A:T3933 3.2 74.9 1.0 CE1 A:TYR834 3.5 30.9 1.0 CD1 A:TYR834 3.9 31.3 1.0 O A:PRO723 3.9 29.8 1.0 CZ A:TYR834 4.0 31.9 1.0 CB A:ASN833 4.1 38.7 1.0 CB A:PRO723 4.1 30.5 1.0 C2 A:T3933 4.1 75.4 1.0 CE1 A:PHE673 4.2 33.5 1.0 OH A:TYR834 4.3 32.8 1.0 CD1 A:LEU830 4.3 37.4 1.0 C4 A:T3933 4.3 78.7 1.0 C1 A:T3933 4.4 70.0 1.0 C5 A:T3933 4.4 78.9 1.0 CD1 A:PHE673 4.5 34.5 1.0 C A:PRO723 4.5 32.8 1.0 CG A:TYR834 4.7 32.1 1.0 CE2 A:TYR834 4.7 31.8 1.0 C A:ASN833 4.8 36.6 1.0 O A:ASN833 4.9 37.0 1.0 N A:TYR834 4.9 34.8 1.0 C3 A:T3933 4.9 73.7 1.0 CG A:GLU837 5.0 43.6 1.0 CA A:PRO723 5.0 31.4 1.0

E.Estebanez-Perpina, L.A.Arnold, A.A.Arnold, P.Nguyen, E.D.Rodrigues, E.Mar, R.Bateman, P.Pallai, K.M.Shokat, J.D.Baxter, R.K.Guy, P.Webb, R.J.Fletterick. A Surface on the Androgen Receptor That Allosterically Regulates Coactivator Binding. Proc.Natl.Acad.Sci.Usa V. 104 16074 2007.
ISSN: ISSN 0027-8424
PubMed: 17911242
DOI: 10.1073/PNAS.0708036104