Iron in PDB 3mw0: X-Ray Structure of the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2

All present enzymatic activity of X-Ray Structure of the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2:
3.6.3.24;

The structure of X-Ray Structure of the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2, PDB code: 3mw0 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)	47.26 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.983, 94.511, 125.105, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 24.4

The binding sites of Iron atom in the X-Ray Structure of the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2 (pdb code 3mw0). 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 Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2, PDB code: 3mw0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/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 the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:20.9 occ:1.00 O18 A:BHR504 1.8 26.9 1.0 O6 A:BHR504 1.9 26.5 1.0 N8 A:BHR504 2.2 25.0 1.0 N11 A:BHR504 2.2 27.5 1.0 O20 A:BHR504 2.2 23.9 1.0 O23 A:BHR504 2.4 27.9 1.0 C9 A:BHR504 2.9 25.4 1.0 C18 A:BHR504 2.9 28.3 1.0 C10 A:BHR504 3.0 27.2 1.0 C6 A:BHR504 3.0 26.6 1.0 C20 A:BHR504 3.0 24.4 1.0 C12 A:BHR504 3.1 27.7 1.0 C19 A:BHR504 3.1 25.2 1.0 C22 A:BHR504 3.1 27.9 1.0 C7 A:BHR504 3.2 26.3 1.0 C21 A:BHR504 3.2 27.8 1.0 C13 A:BHR504 3.4 28.4 1.0 C1 A:BHR504 3.5 26.3 1.0 C17 A:BHR504 4.1 28.9 1.0 C5 A:BHR504 4.2 28.2 1.0 O21 A:BHR504 4.2 24.9 1.0 O22 A:BHR504 4.3 28.6 1.0 NH2 A:ARG137 4.3 16.5 1.0 O5 A:BHR504 4.5 28.4 0.9 C14 A:BHR504 4.8 29.7 1.0 C2 A:BHR504 4.8 27.1 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/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 the Doubly Hydroxylated Iron Complex-Nika Species, NIKA1/O2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe505 b:23.3 occ:1.00 O18 B:BHR503 1.7 29.9 1.0 O6 B:BHR503 1.9 22.2 1.0 O23 B:BHR503 2.1 30.2 1.0 N11 B:BHR503 2.2 29.0 1.0 O21 B:BHR503 2.2 21.4 1.0 N8 B:BHR503 2.2 26.4 1.0 C18 B:BHR503 2.8 29.9 1.0 C22 B:BHR503 2.9 29.8 1.0 C9 B:BHR503 3.0 27.0 1.0 C6 B:BHR503 3.0 24.6 1.0 C10 B:BHR503 3.0 28.2 1.0 C21 B:BHR503 3.0 29.4 1.0 C7 B:BHR503 3.0 25.4 1.0 C12 B:BHR503 3.0 29.3 1.0 C20 B:BHR503 3.1 22.7 1.0 C19 B:BHR503 3.2 24.0 1.0 C13 B:BHR503 3.3 29.8 1.0 C1 B:BHR503 3.4 24.9 1.0 C17 B:BHR503 4.0 31.3 1.0 O22 B:BHR503 4.1 29.9 1.0 C5 B:BHR503 4.2 26.2 1.0 O20 B:BHR503 4.3 19.5 1.0 NH2 B:ARG137 4.3 18.3 1.0 C14 B:BHR503 4.7 31.4 1.0 O5 B:BHR503 4.7 27.7 1.0 C2 B:BHR503 4.7 25.4 1.0

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