Chlorine in PDB 7szh: Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound

The structure of Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound, PDB code: 7szh was solved by J.Bridwell-Rabb, J.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.63 / 1.79
Space group	C 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	153.282, 158.47, 115.839, 90, 90, 90
R / Rfree (%)	17.1 / 19.9

The structure of Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound also contains other interesting chemical elements:

Iron

(Fe)

9 atoms

The binding sites of Chlorine atom in the Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound (pdb code 7szh). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound, PDB code: 7szh:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl509 b:83.5 occ:1.00 O A:HOH784 2.3 62.8 1.0 O A:HOH825 3.3 67.3 1.0 NE2 A:HIS139 3.4 46.4 1.0 CE1 A:HIS139 4.0 55.0 1.0 O A:GLY261 4.0 49.5 1.0 CA A:SER262 4.1 50.6 1.0 N A:GLU263 4.4 43.0 1.0 CD2 A:HIS139 4.5 46.8 1.0 C A:GLY261 4.6 48.3 1.0 N A:SER262 4.7 45.4 1.0 C A:SER262 4.8 50.1 1.0 CB A:SER262 5.0 49.6 1.0

Chlorine binding site 2 out of 2 in the Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of the Rieske Non-Heme Iron Oxygenase Sxtt with Beta- Saxitoxinol Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl510 b:70.6 occ:1.00 O A:HOH839 2.4 61.1 1.0 N A:CYS109 3.2 30.5 1.0 O A:CYS109 3.5 37.5 1.0 O A:HOH762 3.6 52.3 1.0 CA A:HIS108 3.6 35.7 1.0 C A:HIS108 3.9 27.5 1.0 CA A:CYS109 4.2 32.7 1.0 C A:CYS109 4.2 39.8 1.0 CB A:HIS108 4.3 33.5 1.0 O A:TYR107 4.3 32.7 1.0 CD2 A:HIS108 4.3 40.8 1.0 CB A:CYS109 4.6 33.2 1.0 CG A:HIS108 4.7 41.5 1.0 N A:HIS108 4.7 35.8 1.0 O A:HOH684 4.8 35.2 1.0 C A:TYR107 4.9 31.8 1.0

J.Liu, J.Tian, C.Perry, A.L.Lukowski, T.I.Doukov, A.R.H.Narayan, J.Bridwell-Rabb. Design Principles For Site-Selective Hydroxylation By A Rieske Oxygenase. Nat Commun V. 13 255 2022.
ISSN: ESSN 2041-1723
PubMed: 35017498
DOI: 10.1038/S41467-021-27822-3