Iron in PDB 4wqm: Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant

All present enzymatic activity of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant:
1.18.1.3;

The structure of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant, PDB code: 4wqm was solved by J.F.Acheson, B.G.Fox, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.13 / 1.62
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	84.334, 69.074, 68.224, 90.00, 116.53, 90.00
R / Rfree (%)	14.5 / 18.9

The structure of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Iron atom in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant (pdb code 4wqm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant, PDB code: 4wqm:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:11.8 occ:1.00 FE1 A:FES401 0.0 11.8 1.0 S1 A:FES401 2.2 12.1 1.0 S2 A:FES401 2.2 11.5 1.0 SG A:CYS41 2.3 13.2 1.0 SG A:CYS36 2.3 10.8 1.0 FE2 A:FES401 2.7 10.9 1.0 CB A:CYS41 3.5 13.4 1.0 N A:CYS41 3.5 14.7 1.0 N A:CYS36 3.5 10.5 1.0 CB A:CYS36 3.6 11.0 1.0 N A:GLY42 3.8 13.0 1.0 CA A:CYS41 3.9 14.5 1.0 N A:ASN37 3.9 10.5 1.0 CA A:CYS36 4.0 10.2 1.0 N A:GLY40 4.2 14.1 1.0 C A:CYS41 4.3 14.2 1.0 N A:GLY39 4.3 11.6 1.0 C A:CYS36 4.3 9.9 1.0 N A:GLU35 4.3 9.7 1.0 SG A:CYS76 4.4 11.7 1.0 N A:ALA43 4.4 12.4 1.0 N A:SER38 4.4 11.3 1.0 C A:GLY40 4.6 13.7 1.0 C A:GLU35 4.6 11.1 1.0 SG A:CYS44 4.7 10.6 1.0 CA A:ASN37 4.7 10.5 1.0 C A:GLY39 4.8 13.3 1.0 CA A:GLY39 4.8 13.1 1.0 CA A:GLY42 4.8 14.7 1.0 CA A:GLU35 4.9 10.9 1.0 CA A:GLY40 4.9 13.2 1.0 CB A:GLU35 5.0 13.2 1.0

Iron binding site 2 out of 2 in the Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the Toluene 4-Monooxygenase Nadh Oxidoreductase T4MOF, K270S K271S Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:10.9 occ:1.00 FE2 A:FES401 0.0 10.9 1.0 S1 A:FES401 2.2 12.1 1.0 S2 A:FES401 2.2 11.5 1.0 SG A:CYS44 2.3 10.6 1.0 SG A:CYS76 2.3 11.7 1.0 FE1 A:FES401 2.7 11.8 1.0 CB A:CYS76 3.3 10.9 1.0 CB A:CYS44 3.5 10.4 1.0 N A:CYS76 4.2 10.7 1.0 N A:CYS44 4.3 11.2 1.0 N A:GLY39 4.3 11.6 1.0 CA A:CYS76 4.4 10.6 1.0 SG A:CYS36 4.4 10.8 1.0 CB A:LEU74 4.4 12.1 1.0 CA A:CYS44 4.5 10.3 1.0 SG A:CYS41 4.6 13.2 1.0 N A:ASN37 4.6 10.5 1.0 CA A:GLY39 4.6 13.1 1.0 CA A:ASN37 4.7 10.5 1.0 N A:SER38 4.7 11.3 1.0 CD2 A:LEU74 4.8 15.0 1.0 N A:GLY42 4.9 13.0 1.0 N A:ALA43 5.0 12.4 1.0 C A:ASN37 5.0 10.5 1.0 CG A:LEU74 5.0 11.9 1.0 CD1 A:LEU74 5.0 13.6 1.0

J.F.Acheson, H.Moseson, B.G.Fox. Structure of T4MOF, the Toluene 4-Monooxygenase Ferredoxin Oxidoreductase. Biochemistry V. 54 5980 2015.
ISSN: ISSN 0006-2960
PubMed: 26309236
DOI: 10.1021/ACS.BIOCHEM.5B00692