Iodine in PDB 3g7r: Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor

The structure of Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor, PDB code: 3g7r was solved by A.U.Singer, X.Xu, C.Chang, J.Gu, A.M.Edwards, A.Joachimiak, A.Savchenko, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.39 / 1.38
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	119.103, 59.129, 66.895, 90.00, 101.38, 90.00
R / Rfree (%)	15 / 17.4

The structure of Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor also contains other interesting chemical elements:

Chlorine	(Cl)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Iodine atom in the Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor (pdb code 3g7r). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor, PDB code: 3g7r:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor


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 SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ A:I203 b:15.9 occ:0.60 OG A:SER97 3.3 11.1 0.7 O A:HOH618 3.4 11.7 1.0 OE1 A:GLN76 3.4 12.7 0.3 OE1 A:GLN76 3.6 20.1 0.7 O A:HOH342 3.6 14.4 1.0 OG A:SER97 3.7 12.2 0.3 CB A:GLN76 4.0 12.1 0.3 CD A:GLN76 4.0 12.4 0.3 CB A:SER97 4.1 10.3 0.7 CB A:GLN76 4.1 13.1 0.7 CB A:SER97 4.2 10.5 0.3 CG2 A:VAL77 4.3 11.4 1.0 C2 A:EDO960 4.4 11.1 1.0 CG2 A:ILE73 4.4 10.7 1.0 O A:SER97 4.4 9.8 0.3 C A:SER97 4.5 9.7 0.3 C A:SER97 4.5 9.3 0.7 CD A:GLN76 4.6 18.0 0.7 N A:ILE98 4.6 9.3 1.0 CG A:GLN76 4.6 12.4 0.3 CG1 A:ILE98 4.7 9.7 1.0 O A:SER97 4.7 9.4 0.7 O A:ILE73 4.7 11.4 1.0 NE2 A:GLN76 4.7 12.3 0.3 O A:HOH292 4.8 12.1 1.0 CA A:ILE73 4.9 11.2 1.0 CG1 A:ILE73 4.9 11.9 1.0 CA A:ILE98 4.9 9.2 1.0 O2 A:EDO960 4.9 11.6 1.0 CB A:ILE73 5.0 11.2 1.0 CA A:SER97 5.0 10.1 0.3 CA A:SER97 5.0 9.8 0.7

Iodine binding site 2 out of 3 in the Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor


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 SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ B:I206 b:29.4 occ:0.60 O B:HOH945 3.2 27.1 1.0 O B:HOH286 3.7 15.1 1.0 CG1 B:VAL194 3.9 21.3 1.0 CB B:ALA156 4.1 11.0 1.0 CB B:ASP193 4.1 18.3 1.0 N B:ALA156 4.3 10.6 1.0 CA B:ALA156 4.3 9.9 1.0 C B:ASP193 4.5 17.9 1.0 O B:HOH902 4.5 30.3 1.0 O B:ASP193 4.5 18.0 1.0 N B:VAL194 4.5 18.3 1.0 CA B:VAL194 4.5 19.7 1.0 CB B:ALA155 4.8 11.6 1.0 CB B:VAL194 4.8 19.9 1.0 C B:ALA155 5.0 10.2 1.0 CE1 A:HIS185 5.0 20.9 1.0

Iodine binding site 3 out of 3 in the Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor within 5.0Å range: probe atom residue distance (Å) B Occ B:I207 b:19.6 occ:0.60 O B:HOH338 3.7 27.1 1.0 CD B:PRO3 3.9 19.3 1.0 CG B:GLN76 4.0 18.0 1.0 CA B:GLN76 4.0 11.1 1.0 N B:GLN76 4.1 10.5 1.0 C B:ALA75 4.2 10.1 1.0 O B:ALA75 4.2 9.9 1.0 CB B:ALA75 4.3 10.2 1.0 CA B:GLY0 4.3 21.3 1.0 CG B:PRO3 4.6 19.3 1.0 CB B:GLN76 4.6 13.1 1.0 CB B:ALA79 4.7 8.3 1.0 C B:GLY0 4.7 21.4 1.0 CB B:SER2 4.8 19.7 1.0 N B:MSE1 4.8 21.4 1.0 N B:SER2 4.8 20.1 1.0 CA B:ALA75 4.9 9.6 1.0

A.U.Singer, X.Xu, C.Chang, A.M.Edwards, A.Joachimiak, A.Savchenko. Structure and Ligand Specificity of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor To Be Published.