Chlorine 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:

Iodine	(I)	3 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of SCO4454, A Tetr-Family Transcriptional Regulator From Streptomyces Coelicolor, PDB code: 3g7r:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine 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 Chlorine with other atoms in the Cl 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 B:Cl202 b:13.7 occ:1.00 OE1 B:GLN76 2.8 24.2 1.0 OG B:SER97 3.1 13.3 0.7 O B:HOH218 3.1 12.8 1.0 OG B:SER97 3.4 9.3 0.3 O B:HOH252 3.5 13.6 1.0 CD1 B:ILE73 3.6 8.2 0.3 CB B:GLN76 3.9 13.1 1.0 CD B:GLN76 3.9 22.0 1.0 CG2 B:VAL77 4.0 10.4 1.0 CB B:SER97 4.1 10.5 0.7 CB B:SER97 4.1 9.7 0.3 O B:SER97 4.3 10.1 1.0 C B:SER97 4.3 9.8 1.0 CG2 B:ILE73 4.3 8.6 0.7 C1 B:EDO961 4.4 12.7 1.0 N B:ILE98 4.5 9.3 1.0 O B:HOH263 4.5 12.2 1.0 CG2 B:ILE73 4.6 8.5 0.3 CG B:GLN76 4.6 18.0 1.0 O B:ILE73 4.7 8.8 0.3 CA B:ILE98 4.7 9.5 1.0 O B:ILE73 4.7 8.9 0.7 CG1 B:ILE98 4.7 9.9 1.0 O1 B:EDO961 4.8 12.3 1.0 CG1 B:ILE73 4.8 8.6 0.3 CA B:SER97 4.8 10.1 0.7 CA B:SER97 4.8 9.6 0.3 N B:VAL77 4.8 9.3 1.0 CA B:ILE73 4.9 8.6 0.7 O B:HOH946 4.9 15.8 1.0 CG1 B:ILE73 4.9 8.8 0.7 CA B:ILE73 4.9 8.7 0.3 CB B:ILE73 4.9 8.5 0.7

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl203 b:9.8 occ:1.00 OG B:SER56 3.5 13.1 0.7 O B:HOH331 3.5 18.5 1.0 O B:HOH306 3.6 25.6 1.0 CA B:GLY57 3.7 11.8 1.0 N B:GLY57 3.7 11.7 1.0 C B:SER56 3.8 12.1 0.7 N B:ASP60 3.8 11.1 1.0 O B:SER56 3.9 12.4 0.7 CB B:ASP59 3.9 13.4 1.0 C B:SER56 3.9 11.9 0.3 O B:HOH556 3.9 38.7 1.0 C B:GLY57 4.0 11.0 1.0 N B:ASP59 4.0 11.6 1.0 CB B:SER56 4.1 12.2 0.3 O B:HOH345 4.1 27.4 1.0 O B:SER56 4.1 12.1 0.3 O B:GLY57 4.3 10.8 1.0 CB B:ASP60 4.3 11.3 1.0 CB B:SER56 4.3 12.6 0.7 CA B:ASP59 4.3 12.3 1.0 N B:LYS58 4.5 11.6 1.0 C B:ASP59 4.5 11.3 1.0 CA B:SER56 4.6 11.9 0.3 CA B:SER56 4.7 12.1 0.7 CA B:ASP60 4.7 10.9 1.0 CG B:ASP59 4.8 16.2 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl205 b:28.0 occ:1.00 O2 B:EDO976 2.8 31.6 1.0 O B:HOH629 2.9 16.3 1.0 C2 B:EDO976 3.4 44.6 1.0 CG2 B:THR78 4.0 8.9 1.0 C1 B:EDO976 4.4 37.4 1.0 C1 B:EDO964 4.5 19.8 1.0 O B:HOH388 4.7 31.6 1.0 O B:HOH277 4.8 31.6 1.0 C2 B:EDO964 4.9 10.9 1.0 CB B:THR78 4.9 7.8 1.0 OG1 B:THR78 4.9 9.2 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.