Xenon 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:

Chlorine	(Cl)	3 atoms
Iron	(Fe)	9 atoms

The binding sites of Xenon 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 Xenon atom.
In total 3 binding sites of Xenon where determined in the Structure of the Rieske Non-Heme Iron Oxygenase Gxta Pressurized with Xenon, PDB code: 7szg:
Jump to Xenon binding site number: 1; 2; 3;

Xenon 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 Xenon with other atoms in the Xe 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:Xe505 b:86.5 occ:0.80 CD1 A:TYR273 3.8 30.7 1.0 CE1 A:TYR273 3.9 32.0 1.0 C4 A:DTT506 4.0 79.0 1.0 CG A:TYR273 4.0 33.9 1.0 CZ A:TYR273 4.0 37.2 1.0 CG2 A:VAL276 4.1 33.1 1.0 CD2 A:TYR273 4.2 33.5 1.0 CE2 A:TYR273 4.2 32.7 1.0 CD1 A:LEU173 4.2 52.5 1.0 CB A:VAL276 4.2 39.9 1.0 CA A:TYR273 4.3 37.1 1.0 CG1 A:VAL276 4.3 34.7 1.0 O A:ASP272 4.4 41.5 1.0 CD2 A:LEU173 4.6 53.1 1.0 CG A:LEU173 4.6 57.2 1.0 N A:TYR273 4.6 41.3 1.0 C A:ASP272 4.7 41.5 1.0 OH A:TYR273 4.7 46.9 1.0 CB A:TYR273 4.7 31.6 1.0 C3 A:DTT506 4.7 66.8 1.0

Xenon 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 Xenon with other atoms in the Xe 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:Xe506 b:79.4 occ:0.80 CE1 B:TYR273 3.7 47.7 1.0 O2 B:DTT503 3.8 69.6 1.0 CD1 B:TYR273 3.8 49.1 1.0 O3 B:DTT503 3.8 75.3 1.0 CZ B:TYR273 4.0 44.2 1.0 CG B:TYR273 4.0 44.1 1.0 CG2 B:VAL276 4.1 41.4 1.0 O B:HOH606 4.2 64.0 1.0 CD2 B:TYR273 4.3 46.3 1.0 CE2 B:TYR273 4.3 42.9 1.0 CA B:TYR273 4.3 46.8 1.0 CB B:VAL276 4.3 49.2 1.0 O B:HOH678 4.3 45.9 1.0 CG1 B:VAL276 4.4 49.7 1.0 CD1 B:LEU173 4.6 51.8 1.0 N B:TYR273 4.6 45.8 1.0 O B:ASP272 4.6 43.2 1.0 OH B:TYR273 4.6 47.0 1.0 CD2 B:LEU173 4.7 63.2 1.0 C B:ASP272 4.7 44.5 1.0 CB B:TYR273 4.8 47.3 1.0 C3 B:DTT503 4.8 68.8 1.0 CG B:LEU173 4.9 63.7 1.0 C2 B:DTT503 4.9 68.5 1.0 CG2 B:ILE172 4.9 58.6 1.0

Xenon 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 Xenon with other atoms in the Xe 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:Xe505 b:81.5 occ:0.80 CE1 C:TYR273 3.8 44.4 1.0 CD1 C:TYR273 3.8 47.9 1.0 CZ C:TYR273 3.9 49.0 1.0 CG C:TYR273 4.0 48.3 1.0 CE2 C:TYR273 4.0 46.0 1.0 CD2 C:TYR273 4.1 47.9 1.0 O C:HOH631 4.1 60.1 1.0 O C:HOH619 4.3 66.2 1.0 CG2 C:VAL276 4.3 44.4 1.0 CG1 C:VAL276 4.4 42.1 1.0 CA C:TYR273 4.4 40.6 1.0 CB C:VAL276 4.4 47.7 1.0 CD1 C:LEU173 4.4 55.1 1.0 C3 C:DTT506 4.5 70.1 1.0 OH C:TYR273 4.5 55.6 1.0 O C:HOH688 4.6 69.6 1.0 O C:ASP272 4.7 45.5 1.0 O2 C:DTT506 4.8 66.1 1.0 CG C:LEU173 4.8 61.6 1.0 CB C:TYR273 4.8 44.4 1.0 N C:TYR273 4.8 38.6 1.0 O C:HOH647 4.9 56.7 1.0 CD2 C:LEU173 4.9 55.8 1.0 C C:ASP272 4.9 44.1 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