Iodine in PDB 7oul: BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A

The structure of BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A, PDB code: 7oul was solved by H.K.Tam, W.E.Foong, K.M.Pos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.43 / 2.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	146.408, 160.012, 245.478, 90, 90, 90
R / Rfree (%)	24.2 / 26.1

The structure of BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A (pdb code 7oul). 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 BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A, PDB code: 7oul:

Iodine binding site 1 out of 1 in the BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A within 5.0Å range: probe atom residue distance (Å) B Occ A:I1104 b:101.5 occ:1.00 I1 A:1KE1104 0.0 101.5 1.0 C11 A:1KE1104 2.1 97.5 1.0 C12 A:1KE1104 3.0 95.9 1.0 C10 A:1KE1104 3.0 97.0 1.0 O A:HOH1262 3.4 36.2 1.0 O A:HOH1253 3.7 59.4 1.0 O A:HOH1263 4.0 43.6 1.0 CB A:ALA441 4.3 88.3 1.0 N13 A:1KE1104 4.3 93.9 1.0 C9 A:1KE1104 4.3 95.0 1.0 CE1 A:PHE948 4.8 97.4 1.0 C8 A:1KE1104 4.9 93.3 1.0 CD1 A:ILE445 4.9 85.9 1.0 CD1 A:LEU944 4.9 92.3 1.0

H.K.Tam, W.E.Foong, K.M.Pos. BDM88832 Inhibitor Bound to the Transmembrane Domain of Acrb-R971A To Be Published.