Iron in PDB 6y8j: Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta

All present enzymatic activity of Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta:
1.14.13.239;

The structure of Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta, PDB code: 6y8j was solved by M.Quareshy, M.Shanmugam, T.D.Bugg, A.Cameron, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.05
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	91.600, 91.600, 82.960, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 24.8

The binding sites of Iron atom in the Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta (pdb code 6y8j). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta, PDB code: 6y8j:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta


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 the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:53.3 occ:1.00 FE1 A:FES401 0.0 53.3 1.0 S1 A:FES401 2.2 37.7 1.0 S2 A:FES401 2.2 38.9 1.0 ND1 A:HIS88 2.3 60.5 1.0 ND1 A:HIS109 2.3 59.0 1.0 FE2 A:FES401 2.9 49.1 1.0 CG A:HIS109 3.1 60.6 1.0 CE1 A:HIS88 3.2 55.0 1.0 CG A:HIS88 3.2 51.3 1.0 CB A:HIS109 3.3 51.1 1.0 CE1 A:HIS109 3.3 57.4 1.0 CB A:HIS88 3.5 48.5 1.0 N A:HIS109 3.8 49.2 1.0 CB A:TYR108 4.1 55.0 1.0 CA A:HIS109 4.1 53.9 1.0 N A:ARG89 4.2 43.4 1.0 CD2 A:HIS109 4.3 59.5 1.0 CD2 A:TYR108 4.3 47.6 1.0 CG A:TYR108 4.3 52.3 1.0 NE2 A:HIS88 4.3 56.6 1.0 NE2 A:HIS109 4.3 60.7 1.0 CD2 A:HIS88 4.4 53.2 1.0 CB A:ARG89 4.5 50.2 1.0 SG A:CYS86 4.6 39.9 1.0 C A:TYR108 4.7 53.7 1.0 SG A:CYS106 4.7 46.0 1.0 CA A:HIS88 4.7 47.3 1.0 C A:HIS88 4.9 50.6 1.0 C A:HIS109 4.9 50.9 1.0 CG A:ARG89 4.9 52.5 1.0 CA A:ARG89 4.9 49.5 1.0 CA A:TYR108 5.0 54.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta


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 the Apo Form of A Quaternary Ammonium Rieske Monooxygenase Cnta within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:49.1 occ:1.00 FE2 A:FES401 0.0 49.1 1.0 S2 A:FES401 2.2 38.9 1.0 S1 A:FES401 2.2 37.7 1.0 SG A:CYS106 2.3 46.0 1.0 SG A:CYS86 2.4 39.9 1.0 FE1 A:FES401 2.9 53.3 1.0 CB A:CYS86 3.1 37.9 1.0 CB A:CYS106 3.2 45.1 1.0 CB A:TYR108 4.1 55.0 1.0 CB A:HIS88 4.2 48.5 1.0 N A:HIS109 4.4 49.2 1.0 CB A:HIS91 4.4 41.4 1.0 CA A:CYS86 4.6 43.6 1.0 ND1 A:HIS88 4.6 60.5 1.0 CA A:CYS106 4.6 47.6 1.0 N A:ARG89 4.8 43.4 1.0 N A:TYR108 4.8 51.6 1.0 CG A:HIS88 4.9 51.3 1.0 N A:HIS91 4.9 44.5 1.0 CA A:TYR108 5.0 54.1 1.0 N A:HIS88 5.0 46.7 1.0 C A:CYS106 5.0 44.1 1.0

M.Quareshy, M.Shanmugam, E.Townsend, E.Jameson, T.D.H.Bugg, A.D.Cameron, Y.Chen. Structural Basis of Carnitine Monooxygenase Cnta Substrate Specificity, Inhibition and Inter-Subunit Electron Transfer. J.Biol.Chem. 2020.
ISSN: ESSN 1083-351X
PubMed: 33158989
DOI: 10.1074/JBC.RA120.016019