Iodine in PDB 3wd6: Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh

The structure of Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh, PDB code: 3wd6 was solved by K.Yamamoto, M.Suzuki, A.Higashiura, A.Nakagawa, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.84 / 2.50
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.861, 89.894, 182.149, 90.00, 90.00, 90.00
R / Rfree (%)	20.8 / 25.6

The structure of Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh also contains other interesting chemical elements:

Potassium

(K)

8 atoms

The binding sites of Iodine atom in the Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh (pdb code 3wd6). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh, PDB code: 3wd6:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh


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 Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh within 5.0Å range: probe atom residue distance (Å) B Occ C:I301 b:52.2 occ:1.00 NE C:ARG243 3.5 58.9 1.0 NH2 C:ARG243 3.6 50.5 1.0 CZ C:ARG243 4.0 54.6 1.0 CG2 C:ILE63 4.1 48.0 1.0 CB C:ASP64 4.3 46.4 1.0 NH2 C:ARG18 4.6 44.9 1.0 CG C:ASP64 4.6 45.9 1.0 CD C:ARG243 4.6 58.7 1.0 CG C:ARG243 4.7 62.7 1.0 CB C:ILE63 4.9 50.9 1.0 OD1 C:ASP64 5.0 45.0 1.0

Iodine binding site 2 out of 2 in the Crystal Structure of Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh


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 Bombyx Mori Omega-Class Glutathione Transferase in Complex with Gsh within 5.0Å range: probe atom residue distance (Å) B Occ D:I301 b:88.0 occ:1.00 SG2 D:GSH304 3.8 45.3 1.0 CG1 D:ILE134 3.9 62.5 1.0 O2 D:EDO303 3.9 60.0 1.0 CD1 D:ILE134 4.0 62.0 1.0 C1 D:EDO303 4.1 52.4 1.0 C2 D:EDO303 4.1 56.1 1.0 CE2 D:PHE133 4.1 49.2 1.0 CD D:PRO39 4.2 38.1 1.0 CG D:PRO39 4.4 38.8 1.0 CE2 D:TYR40 4.4 33.5 1.0 CZ D:PHE133 4.6 50.4 1.0 CB2 D:GSH304 4.7 33.3 1.0 CD2 D:TYR40 4.7 36.0 1.0

K.Yamamoto, M.Suzuki, A.Higashiura, A.Nakagawa. Three-Dimensional Structure of A Bombyx Mori Omega-Class Glutathione Transferase. Biochem.Biophys.Res.Commun. V. 438 588 2013.
ISSN: ISSN 0006-291X
PubMed: 23939046
DOI: 10.1016/J.BBRC.2013.08.011