Chlorine in PDB 7szg: Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon

The structure of Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon, PDB code: 7szg 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)	48.47 / 2.69
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.73, 96.932, 80.809, 90, 106.97, 90
R / Rfree (%)	20.5 / 24.4

The structure of Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon also contains other interesting chemical elements:

Xenon	(Xe)	3 atoms
Iron	(Fe)	9 atoms

The binding sites of Chlorine atom in the Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon (pdb code 7szg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon, PDB code: 7szg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon


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 Gxta Pressurized with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl507 b:67.3 occ:1.00 CB A:HIS222 2.3 58.6 1.0 CG A:HIS222 3.2 74.8 1.0 SG A:CYS225 3.6 59.5 1.0 CA A:HIS222 3.6 52.5 1.0 CD2 A:HIS222 3.7 73.3 1.0 C A:HIS222 3.8 48.5 1.0 CB A:CYS225 3.9 40.5 1.0 O A:TRP12 3.9 44.0 1.0 N A:LEU224 3.9 42.3 1.0 N A:CYS225 4.1 41.6 1.0 N A:PRO223 4.2 46.8 1.0 C A:LEU224 4.2 41.6 1.0 ND1 A:HIS222 4.3 69.2 1.0 O A:HIS222 4.3 48.6 1.0 CD A:PRO223 4.4 44.8 1.0 CE1 A:TYR13 4.5 29.7 1.0 CA A:LEU224 4.5 43.5 1.0 N A:HIS222 4.5 49.9 1.0 OD1 A:ASN11 4.5 59.1 1.0 CA A:CYS225 4.6 44.1 1.0 CB A:LEU224 4.7 40.3 1.0 O A:LEU224 4.7 38.0 1.0 CB A:ASN11 4.8 45.8 1.0 CD1 A:TYR13 4.8 34.2 1.0 CG A:ASN11 4.8 55.6 1.0 CG A:PRO128 4.8 49.8 1.0 NE2 A:HIS222 4.9 65.2 1.0 C A:PRO223 5.0 44.6 1.0

Chlorine binding site 2 out of 3 in the Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon


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 Gxta Pressurized with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl507 b:71.2 occ:1.00 N B:SER221 2.6 48.8 1.0 OG B:SER221 3.2 58.2 1.0 CA B:LEU220 3.4 57.8 1.0 O B:CYS225 3.4 49.9 1.0 O B:ARG219 3.4 47.8 1.0 C B:LEU220 3.5 53.4 1.0 CB B:SER221 3.6 55.6 1.0 CA B:SER221 3.7 54.5 1.0 N B:HIS222 3.9 51.0 1.0 C B:ARG219 4.0 56.9 1.0 N B:LEU220 4.0 61.3 1.0 N B:TYR227 4.2 56.3 1.0 C B:CYS225 4.2 56.0 1.0 C B:SER221 4.3 59.4 1.0 CA B:GLN226 4.5 54.4 1.0 CB B:TYR227 4.6 50.9 1.0 O B:LEU220 4.7 53.6 1.0 N B:GLN226 4.7 52.0 1.0 CB B:PRO128 4.7 59.1 1.0 CB B:LEU220 4.7 48.2 1.0 C B:GLN226 4.7 52.6 1.0 CB B:CYS225 4.9 43.5 1.0

Chlorine binding site 3 out of 3 in the Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl507 b:47.4 occ:1.00 N C:HIS42 3.1 45.7 1.0 N C:ASN70 3.2 30.2 1.0 CB C:SER41 3.6 46.8 1.0 ND1 C:HIS42 3.6 42.4 1.0 CA C:SER41 3.7 42.1 1.0 N C:ASN69 3.8 44.5 1.0 CB C:HIS42 3.8 42.0 1.0 C C:SER41 3.9 45.1 1.0 CA C:ASN70 4.0 42.6 1.0 O C:HOH677 4.0 55.5 1.0 CA C:HIS42 4.0 52.5 1.0 CG1 C:VAL67 4.0 33.2 1.0 CG C:HIS42 4.2 44.5 1.0 C C:ASN69 4.2 39.9 1.0 OG C:SER41 4.2 47.4 1.0 OE2 C:GLU43 4.2 66.6 1.0 CA C:ASN69 4.2 37.2 1.0 C C:ALA68 4.4 33.7 1.0 OE1 C:GLU43 4.5 81.1 1.0 CD C:GLU43 4.6 73.5 1.0 CA C:ALA68 4.7 30.9 1.0 N C:GLU43 4.7 44.2 1.0 CB C:ASN70 4.8 47.4 1.0 CE1 C:HIS42 4.8 46.0 1.0 N C:ALA68 4.8 37.1 1.0 C C:HIS42 4.8 55.0 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