Chlorine in PDB 6o8o: Crystal Structure of C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus.

The structure of Crystal Structure of C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus., PDB code: 6o8o was solved by D.A.Capdevila, G.Gonzalez-Gutierrez, D.P.Giedroc, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.66 / 2.50
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.600, 92.600, 148.980, 90.00, 90.00, 120.00
R / Rfree (%)	22.9 / 26

The binding sites of Chlorine atom in the Crystal Structure of C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus. (pdb code 6o8o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus., PDB code: 6o8o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus.


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 C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:98.1 occ:1.00 NE2 A:HIS33 3.6 67.7 1.0 CE1 A:HIS33 4.1 70.4 1.0 CD2 A:HIS33 4.7 70.6 1.0 NE2 A:GLN67 4.9 73.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus.


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 C9S Disulfide State of Sulfide-Responsive Transcriptional Repressor (Sqrr) From Rhodobacter Capsulatus. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl205 b:81.8 occ:1.00 NZ C:LYS29 3.2 58.0 1.0 CD2 D:HIS33 3.5 55.9 0.5 N D:GLU34 3.7 41.4 1.0 CA D:HIS33 3.9 45.4 0.5 CA D:HIS33 3.9 45.7 0.5 CG D:HIS33 4.0 56.3 0.5 NE2 D:HIS33 4.0 58.5 0.5 OG C:SER25 4.3 52.1 1.0 C D:HIS33 4.3 43.2 0.5 C D:HIS33 4.3 43.0 0.5 CD2 D:HIS33 4.4 48.2 0.5 CB D:HIS33 4.4 45.7 0.5 CB D:HIS33 4.4 45.3 0.5 CB D:GLU34 4.5 41.9 1.0 O D:ALA32 4.6 64.2 1.0 CG D:HIS33 4.7 45.9 0.5 CE C:LYS29 4.7 68.5 1.0 ND1 D:HIS33 4.7 56.3 0.5 CE1 D:HIS33 4.7 49.6 0.5 CA D:GLU34 4.7 48.0 1.0

D.A.Capdevila, B.J.C.Walsh, Y.Zhang, C.M.Dietrich, G.Gonzalez-Gutierrez, D.P.Giedroc. Structural Determinants of Persulfide-Sensing Specificity in A Dithiol-Based Transcriptional Regulator Biorxiv 2020.
DOI: 10.1101/2020.03.22.001966V1