Chlorine in PDB 6r9n: Peroxy Diiron Species of Chemotaxis Sensor Odp

The structure of Peroxy Diiron Species of Chemotaxis Sensor Odp, PDB code: 6r9n was solved by A.R.Muok, B.R.Crane, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.73 / 2.07
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.675, 85.451, 118.803, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.9

The structure of Peroxy Diiron Species of Chemotaxis Sensor Odp also contains other interesting chemical elements:

Iron

(Fe)

4 atoms

The binding sites of Chlorine atom in the Peroxy Diiron Species of Chemotaxis Sensor Odp (pdb code 6r9n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Peroxy Diiron Species of Chemotaxis Sensor Odp, PDB code: 6r9n:

Chlorine binding site 1 out of 1 in the Peroxy Diiron Species of Chemotaxis Sensor Odp


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Peroxy Diiron Species of Chemotaxis Sensor Odp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:22.8 occ:1.00 NE2 A:GLN81 3.2 20.3 1.0 ND1 B:HIS148 3.2 20.5 1.0 ND1 A:HIS148 3.3 24.8 1.0 NE2 B:GLN81 3.3 21.1 1.0 CA A:SER149 3.5 23.9 1.0 CA B:SER149 3.6 23.3 1.0 CD B:PRO150 3.7 21.8 1.0 CE1 B:HIS148 3.7 21.8 1.0 CD A:PRO150 3.7 24.3 1.0 CE1 A:HIS148 3.7 21.6 1.0 CB A:SER149 3.8 24.8 1.0 CB B:SER149 3.9 23.3 1.0 OG A:SER149 4.2 23.5 1.0 N A:SER149 4.2 24.6 1.0 N B:SER149 4.3 24.2 1.0 OG B:SER149 4.3 21.7 1.0 O B:HIS148 4.3 26.0 1.0 CD A:GLN81 4.3 25.8 1.0 O A:HIS148 4.3 23.9 1.0 CD B:GLN81 4.4 25.3 1.0 C A:HIS148 4.5 22.8 1.0 C B:HIS148 4.5 23.4 1.0 CG B:HIS148 4.5 22.9 1.0 CG A:HIS148 4.5 24.0 1.0 N B:PRO150 4.6 22.1 1.0 N A:PRO150 4.6 21.1 1.0 C A:SER149 4.6 23.8 1.0 OE1 A:GLN81 4.6 22.7 1.0 C B:SER149 4.7 20.5 1.0 OE1 B:GLN81 4.8 22.3 1.0 OD1 B:ASP82 4.8 24.4 1.0 CG B:PRO150 4.8 20.2 1.0 OD1 A:ASP82 4.9 22.4 1.0 CG A:PRO150 4.9 24.2 1.0 NE2 B:HIS148 5.0 18.8 1.0

A.R.Muok, Y.Deng, V.M.Gumerov, J.E.Chong, J.R.Derosa, K.Kurniyati, R.E.Coleman, K.M.Lancaster, C.Li, I.B.Zhulin, B.R.Crane. A Di-Iron Protein Recruited As An Fe[II] and Oxygen Sensor For Bacterial Chemotaxis Functions By Stabilizing An Iron-Peroxy Species. Proc.Natl.Acad.Sci.Usa V. 116 14955 2019.
ISSN: ESSN 1091-6490
PubMed: 31270241
DOI: 10.1073/PNAS.1904234116