Iron in PDB 3mvz: X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex

All present enzymatic activity of X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex:
3.6.3.24;

The structure of X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex, PDB code: 3mvz was solved by C.Cavazza, C.Bochot, P.Rousselot-Pailley, P.Carpentier, M.V.Cherrier, L.Martin, C.Marchi-Delapierre, J.C.Fontecilla-Camps, S.Menage, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.15 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.727, 94.298, 124.557, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20

The binding sites of Iron atom in the X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex (pdb code 3mvz). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex, PDB code: 3mvz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe511 b:12.8 occ:1.00 O6 A:BHN512 1.9 14.3 1.0 O22 A:BHN512 2.1 12.1 1.0 N11 A:BHN512 2.1 13.5 1.0 O2 A:PER513 2.2 26.1 1.0 N8 A:BHN512 2.2 16.9 1.0 O20 A:BHN512 2.3 16.6 1.0 O18 A:BHN512 2.7 18.3 0.5 C22 A:BHN512 2.9 11.0 1.0 C19 A:BHN512 3.0 17.8 1.0 C10 A:BHN512 3.0 14.4 1.0 C20 A:BHN512 3.0 16.6 1.0 C6 A:BHN512 3.0 16.2 1.0 C21 A:BHN512 3.1 12.2 1.0 C9 A:BHN512 3.1 15.6 1.0 C12 A:BHN512 3.1 13.4 1.0 C7 A:BHN512 3.2 17.6 1.0 C1 A:BHN512 3.5 17.3 1.0 O1 A:PER513 3.5 29.2 1.0 C18 A:BHN512 3.5 14.3 1.0 C13 A:BHN512 3.7 13.6 1.0 NH2 A:ARG137 4.1 9.0 1.0 O23 A:BHN512 4.1 10.3 1.0 C5 A:BHN512 4.2 18.0 1.0 O21 A:BHN512 4.2 20.5 1.0 O A:HOH676 4.4 20.0 1.0 C17 A:BHN512 4.7 15.2 1.0 C2 A:BHN512 4.8 19.9 1.0 CD2 A:TYR22 4.9 8.6 1.0 C14 A:BHN512 5.0 12.6 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of X-Ray Structure of the (Hydro)Peroxo Intermediate Nika/1-Int", After Monohydroxylation of the Iron Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe506 b:12.3 occ:1.00 O6 B:BHN507 1.9 19.9 1.0 O22 B:BHN507 2.1 11.3 1.0 O20 B:BHN507 2.2 16.6 1.0 N11 B:BHN507 2.3 13.2 1.0 N8 B:BHN507 2.3 17.0 1.0 O2 B:PER508 2.3 21.6 0.6 O18 B:BHN507 2.8 18.1 0.5 C6 B:BHN507 3.0 18.8 1.0 C20 B:BHN507 3.0 18.1 1.0 C19 B:BHN507 3.0 18.4 1.0 C22 B:BHN507 3.0 11.5 1.0 C10 B:BHN507 3.1 13.8 1.0 C21 B:BHN507 3.1 12.1 1.0 C9 B:BHN507 3.1 15.5 1.0 C12 B:BHN507 3.1 12.4 1.0 C7 B:BHN507 3.2 16.9 1.0 C1 B:BHN507 3.4 18.9 1.0 C18 B:BHN507 3.6 14.3 1.0 O1 B:PER508 3.6 21.9 0.6 C13 B:BHN507 3.7 12.9 1.0 C5 B:BHN507 4.1 19.8 1.0 NH2 B:ARG137 4.1 8.6 1.0 O23 B:BHN507 4.2 12.3 1.0 O21 B:BHN507 4.2 19.7 1.0 O B:HOH1202 4.3 20.2 1.0 C17 B:BHN507 4.8 15.8 1.0 C2 B:BHN507 4.8 18.7 1.0 CD2 B:TYR22 4.8 9.3 1.0 O B:HOH697 4.9 27.0 1.0 CE B:MET27 5.0 12.6 0.5

C.Cavazza, C.Bochot, P.Rousselot-Pailley, P.Carpentier, M.V.Cherrier, L.Martin, C.Marchi-Delapierre, J.C.Fontecilla-Camps, S.Menage. Crystallographic Snapshots of the Reaction of Aromatic C-H with O(2) Catalysed By A Protein-Bound Iron Complex Nat.Chem. V. 2 1069 2010.
ISSN: ISSN 1755-4330
PubMed: 21107372
DOI: 10.1038/NCHEM.841