Chlorine in PDB 7txn: Reduced Structure of Rext

The structure of Reduced Structure of Rext, PDB code: 7txn was solved by J.Bridwell-Rabb, B.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.61 / 1.95
Space group	P 64
Cell size a, b, c (Å), α, β, γ (°)	99.891, 99.891, 36.472, 90, 90, 120
R / Rfree (%)	18 / 22.2

The binding sites of Chlorine atom in the Reduced Structure of Rext (pdb code 7txn). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Reduced Structure of Rext, PDB code: 7txn:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Reduced Structure of Rext


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Reduced Structure of Rext within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:36.6 occ:1.00 O A:HOH335 3.0 44.2 1.0 N A:ALA42 3.4 20.7 1.0 N A:CYS41 3.4 24.2 1.0 N A:HIS75 3.4 25.1 1.0 CB A:CYS41 3.6 25.9 1.0 OE1 A:GLN74 3.7 43.1 1.0 O A:HIS75 3.8 24.1 1.0 CA A:CYS41 3.8 21.6 1.0 CA A:GLN74 3.9 30.7 1.0 CB A:GLN74 4.0 32.4 1.0 CB A:ALA42 4.0 18.9 1.0 CD A:GLN74 4.0 50.0 1.0 C A:CYS41 4.0 22.9 1.0 CB A:CYS40 4.0 23.8 0.5 CB A:CYS40 4.1 23.3 0.5 C A:GLN74 4.2 28.1 1.0 C A:CYS40 4.2 24.6 0.5 C A:CYS40 4.2 24.5 0.5 CA A:ALA42 4.3 21.1 1.0 CA A:HIS75 4.3 23.5 1.0 SG A:CYS40 4.4 32.9 0.5 C A:HIS75 4.4 22.3 1.0 NE2 A:GLN74 4.4 48.5 1.0 CA A:CYS40 4.5 23.3 0.5 CA A:CYS40 4.5 23.3 0.5 CB A:HIS75 4.5 27.8 1.0 CG A:GLN74 4.6 42.2 1.0 SG A:CYS41 4.8 31.4 1.0 O A:THR73 4.9 39.3 1.0

Chlorine binding site 2 out of 3 in the Reduced Structure of Rext


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Reduced Structure of Rext within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:45.9 occ:1.00 OD2 A:ASP11 2.4 30.4 1.0 N A:ASP8 3.1 19.3 1.0 O A:HOH308 3.4 52.6 1.0 CG A:ASP11 3.5 33.6 1.0 OD2 A:ASP8 3.7 45.8 1.0 CA A:PRO7 3.7 20.9 1.0 CG A:ASP8 3.8 42.5 1.0 CB A:ASP8 3.8 26.6 1.0 CB A:ASP11 3.9 26.1 1.0 C A:PRO7 3.9 23.4 1.0 CA A:ASP8 4.1 25.6 1.0 CB A:PRO7 4.1 19.8 1.0 OH A:TYR5 4.2 27.8 1.0 OD1 A:ASP8 4.5 40.1 1.0 OD1 A:ASP11 4.6 35.7 1.0 NZ A:LYS10 4.7 42.3 1.0 O A:ASP8 4.8 21.9 1.0 CE1 A:TYR5 4.8 22.1 1.0 O A:HIS6 4.9 17.8 1.0 C A:ASP8 4.9 30.7 1.0 N A:PRO7 5.0 13.1 1.0 CZ A:TYR5 5.0 24.4 1.0

Chlorine binding site 3 out of 3 in the Reduced Structure of Rext


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Reduced Structure of Rext within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:23.1 occ:1.00 N B:HIS75 3.3 18.9 1.0 N B:ALA42 3.4 23.8 1.0 N B:CYS41 3.5 20.9 1.0 CB B:CYS40 3.6 25.9 1.0 CB B:CYS41 3.7 21.9 1.0 CA B:GLN74 3.8 31.5 1.0 CA B:CYS41 4.0 24.6 1.0 SG B:CYS40 4.0 36.2 1.0 CB B:ALA42 4.0 27.1 1.0 O B:HIS75 4.0 18.4 1.0 C B:GLN74 4.0 23.0 1.0 CB B:GLN74 4.2 28.0 1.0 C B:CYS41 4.2 24.8 1.0 C B:CYS40 4.2 20.4 1.0 CA B:HIS75 4.2 20.1 1.0 CB B:HIS75 4.3 14.7 1.0 CA B:ALA42 4.3 28.4 1.0 CA B:CYS40 4.4 19.1 1.0 CG B:GLN74 4.4 37.1 1.0 C B:HIS75 4.5 20.4 1.0 O B:THR73 4.7 36.8 1.0 ND1 B:HIS75 4.7 32.3 1.0 SG B:CYS41 4.9 26.7 1.0

B.Li, M.Jo, J.Liu, J.Tian, R.Canfield, J.Bridwell-Rabb. Structural and Mechanistic Basis For Redox Sensing By the Cyanobacterial Transcription Regulator Rext. Commun Biol V. 5 275 2022.
ISSN: ESSN 2399-3642
PubMed: 35347217
DOI: 10.1038/S42003-022-03226-X