Iron in PDB 3mzb: X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2

All present enzymatic activity of X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2:
3.6.3.24;

The structure of X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2, PDB code: 3mzb 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)	46.93 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.040, 93.873, 124.726, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22.3

The structure of X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2 also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Iron atom in the X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2 (pdb code 3mzb). 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 Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2, PDB code: 3mzb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2


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 Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe521 b:19.4 occ:0.80 O6 A:BHR520 1.2 33.1 1.0 O18 A:BHR520 1.3 26.5 1.0 O21 A:BHR520 2.1 18.7 1.0 O23 A:BHR520 2.1 31.4 1.0 N8 A:BHR520 2.1 27.1 1.0 N11 A:BHR520 2.2 30.8 1.0 C6 A:BHR520 2.5 31.7 1.0 C18 A:BHR520 2.6 30.8 1.0 C20 A:BHR520 2.8 20.5 1.0 C9 A:BHR520 2.9 29.6 1.0 C22 A:BHR520 3.0 32.0 1.0 C19 A:BHR520 3.0 23.4 1.0 C10 A:BHR520 3.0 30.2 1.0 C21 A:BHR520 3.1 31.4 1.0 C7 A:BHR520 3.1 27.3 1.0 C12 A:BHR520 3.1 31.0 1.0 C1 A:BHR520 3.2 31.3 1.0 C13 A:BHR520 3.2 30.6 1.0 C5 A:BHR520 3.6 35.3 1.0 C17 A:BHR520 3.6 33.2 1.0 O5 A:BHR520 3.8 38.0 0.9 O20 A:BHR520 4.0 19.5 1.0 O22 A:BHR520 4.2 32.7 1.0 NH2 A:ARG137 4.2 16.4 1.0 C2 A:BHR520 4.5 32.0 1.0 C14 A:BHR520 4.6 32.6 1.0 C4 A:BHR520 4.8 34.4 1.0 C16 A:BHR520 4.9 34.0 1.0 SD A:MET27 5.0 27.9 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2


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 Nika in Complex with the Doubly Hydroxylated Iron Complex, 1-O2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe507 b:19.8 occ:0.90 O18 B:BHR506 1.5 30.8 0.9 O6 B:BHR506 1.8 26.8 0.9 O21 B:BHR506 2.1 15.4 0.9 O23 B:BHR506 2.1 28.1 0.9 N8 B:BHR506 2.2 25.2 0.9 N11 B:BHR506 2.3 29.4 0.9 C18 B:BHR506 2.8 31.2 0.9 C20 B:BHR506 2.9 17.4 0.9 C6 B:BHR506 2.9 27.3 0.9 C22 B:BHR506 2.9 29.0 0.9 C9 B:BHR506 3.1 27.8 0.9 C19 B:BHR506 3.1 21.3 0.9 C10 B:BHR506 3.1 28.7 0.9 C7 B:BHR506 3.1 26.7 0.9 C21 B:BHR506 3.1 29.3 0.9 C12 B:BHR506 3.2 29.5 0.9 C13 B:BHR506 3.4 29.9 0.9 C1 B:BHR506 3.4 27.7 0.9 C17 B:BHR506 3.9 32.4 0.9 O20 B:BHR506 4.1 17.5 0.9 C5 B:BHR506 4.1 29.9 0.9 O22 B:BHR506 4.2 29.2 0.9 NH2 B:ARG137 4.2 16.6 1.0 O5 B:BHR506 4.5 31.6 0.9 C14 B:BHR506 4.7 31.7 0.9 C2 B:BHR506 4.8 29.0 0.9

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