Iron in PDB 7fhr: Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans

All present enzymatic activity of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans:
1.14.12.7;

The structure of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans, PDB code: 7fhr was solved by J.K.Mahto, P.Dhankhar, P.Kumar, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.71 / 1.84
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	103.416, 103.416, 77.59, 90, 90, 120
R / Rfree (%)	16.4 / 21.2

The binding sites of Iron atom in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans (pdb code 7fhr). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans, PDB code: 7fhr:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:34.4 occ:1.00 FE1 A:FES506 0.0 34.4 1.0 ND1 A:HIS91 2.1 29.7 1.0 ND1 A:HIS71 2.1 33.3 1.0 S1 A:FES506 2.2 36.4 1.0 S2 A:FES506 2.2 32.5 1.0 FE2 A:FES506 2.7 36.6 1.0 CG A:HIS91 3.1 28.6 1.0 CG A:HIS71 3.1 34.9 1.0 CE1 A:HIS91 3.1 28.5 1.0 CE1 A:HIS71 3.1 36.9 1.0 CB A:HIS71 3.3 33.3 1.0 CB A:HIS91 3.3 30.9 1.0 N A:HIS91 3.7 32.1 1.0 CB A:TYR90 3.9 29.1 1.0 CA A:HIS91 4.1 31.7 1.0 NE2 A:HIS91 4.2 30.1 1.0 CD2 A:HIS91 4.2 29.4 1.0 N A:ARG72 4.2 34.1 1.0 CD2 A:HIS71 4.2 37.3 1.0 NE2 A:HIS71 4.2 39.4 1.0 SG A:CYS69 4.4 33.5 1.0 CG A:TYR90 4.4 29.9 1.0 C A:TYR90 4.4 32.8 1.0 CD2 A:TYR90 4.5 29.3 1.0 SG A:CYS88 4.5 34.1 1.0 CA A:HIS71 4.6 33.3 1.0 CB A:ARG72 4.7 38.8 1.0 CA A:TYR90 4.7 31.2 1.0 NE1 A:TRP93 4.9 33.8 1.0 C A:HIS91 4.9 33.3 1.0 C A:HIS71 4.9 34.6 1.0 CD1 A:TRP93 4.9 33.3 1.0 CA A:ARG72 5.0 34.3 1.0

Iron binding site 2 out of 3 in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe506 b:36.6 occ:1.00 FE2 A:FES506 0.0 36.6 1.0 S2 A:FES506 2.2 32.5 1.0 SG A:CYS69 2.2 33.5 1.0 S1 A:FES506 2.2 36.4 1.0 SG A:CYS88 2.3 34.1 1.0 FE1 A:FES506 2.7 34.4 1.0 CB A:CYS69 3.0 30.3 1.0 CB A:CYS88 3.1 32.4 1.0 CB A:HIS71 4.0 33.3 1.0 CB A:TYR90 4.2 29.1 1.0 CB A:ALA74 4.3 28.9 1.0 ND1 A:HIS71 4.4 33.3 1.0 CA A:CYS69 4.5 31.2 1.0 CA A:CYS88 4.5 34.1 1.0 ND1 A:HIS91 4.6 29.7 1.0 N A:HIS91 4.6 32.1 1.0 CG A:HIS71 4.7 34.9 1.0 N A:ARG72 4.8 34.1 1.0 N A:ALA74 4.8 30.8 1.0 N A:TYR90 4.8 32.3 1.0 N A:HIS71 4.9 31.1 1.0 C A:CYS88 4.9 33.8 1.0 CA A:HIS71 4.9 33.3 1.0 CB A:TRP93 5.0 32.0 1.0 C A:CYS69 5.0 31.2 1.0

Iron binding site 3 out of 3 in the Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of A Rieske Oxygenase From Cupriavidus Metallidurans within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe507 b:25.4 occ:1.00 OXT A:GLU504 1.8 42.8 1.0 NE2 A:HIS181 1.9 32.6 1.0 NE2 A:HIS186 2.0 36.2 1.0 OD1 A:ASP349 2.0 33.1 1.0 O A:GLU504 2.5 61.1 1.0 C A:GLU504 2.5 52.5 1.0 OD2 A:ASP349 2.5 33.6 1.0 CG A:ASP349 2.6 32.2 1.0 CE1 A:HIS181 2.9 33.1 1.0 CE1 A:HIS186 2.9 37.0 1.0 CD2 A:HIS186 3.0 35.0 1.0 CD2 A:HIS181 3.0 30.9 1.0 O A:HOH764 3.8 38.4 1.0 CA A:GLU504 4.0 57.5 1.0 ND1 A:HIS181 4.0 32.5 1.0 ND1 A:HIS186 4.1 37.1 1.0 CB A:ASP349 4.1 30.7 1.0 CG A:HIS186 4.1 37.9 1.0 CG A:HIS181 4.1 31.4 1.0 CD2 A:LEU185 4.3 33.1 1.0 N A:GLU504 4.5 56.3 0.4 O A:HOH755 4.6 55.0 1.0 O A:HOH832 4.6 56.1 1.0 CB A:GLU504 4.8 59.0 1.0 CA A:ASP349 4.8 31.6 1.0 CA A:ALA182 4.9 39.2 1.0 O A:GLY175 4.9 40.8 1.0

J.K.Mahto, N.Neetu, B.Waghmode, E.Kuatsjah, M.Sharma, D.Sircar, A.K.Sharma, S.Tomar, L.D.Eltis, P.Kumar. Molecular Insights Into Substrate Recognition and Catalysis By Phthalate Dioxygenase From Comamonas Testosteroni. J.Biol.Chem. 01416 2021.
ISSN: ESSN 1083-351X
PubMed: 34800435
DOI: 10.1016/J.JBC.2021.101416