Iron in PDB 3mvw: X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1

All present enzymatic activity of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1:
3.6.3.24;

The structure of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1, PDB code: 3mvw 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)	47.29 / 1.79
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.972, 94.583, 124.947, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 20.4

The structure of X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1 (pdb code 3mvw). 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 A "Nika+Iron Complex" Hybrid, Nika/1, PDB code: 3mvw:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1


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 A "Nika+Iron Complex" Hybrid, Nika/1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:14.9 occ:1.00 O6 A:BHZ504 2.0 16.8 1.0 O A:HOH1036 2.1 20.9 1.0 N11 A:BHZ504 2.1 19.5 1.0 O21 A:BHZ504 2.1 14.9 1.0 O22 A:BHZ504 2.2 15.5 1.0 N8 A:BHZ504 2.2 18.7 1.0 C10 A:BHZ504 2.8 19.3 1.0 C9 A:BHZ504 2.9 16.6 1.0 C12 A:BHZ504 2.9 17.2 1.0 C20 A:BHZ504 2.9 11.0 1.0 C22 A:BHZ504 2.9 20.3 1.0 C21 A:BHZ504 3.0 19.1 1.0 C19 A:BHZ504 3.1 13.3 1.0 C6 A:BHZ504 3.1 15.7 1.0 C7 A:BHZ504 3.2 15.5 1.0 C1 A:BHZ504 3.5 11.1 1.0 O A:HOH949 3.8 31.2 1.0 O A:HOH1037 3.9 25.2 1.0 O20 A:BHZ504 4.1 12.4 1.0 O23 A:BHZ504 4.2 22.4 1.0 C5 A:BHZ504 4.3 16.2 1.0 NH2 A:ARG137 4.3 11.4 1.0 C13 A:BHZ504 4.4 18.9 1.0 C2 A:BHZ504 4.9 14.1 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of A "Nika+Iron Complex" Hybrid, Nika/1


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 A "Nika+Iron Complex" Hybrid, Nika/1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:15.2 occ:1.00 O21 B:BHZ504 2.0 12.4 1.0 O6 B:BHZ504 2.1 16.4 1.0 O22 B:BHZ504 2.2 18.6 1.0 N8 B:BHZ504 2.2 15.8 1.0 N11 B:BHZ504 2.2 20.4 1.0 O B:HOH736 2.2 20.4 1.0 C12 B:BHZ504 2.9 20.1 1.0 C20 B:BHZ504 2.9 12.8 1.0 C10 B:BHZ504 3.0 21.1 1.0 C22 B:BHZ504 3.0 21.2 1.0 C9 B:BHZ504 3.0 18.3 1.0 C19 B:BHZ504 3.1 13.7 1.0 C21 B:BHZ504 3.1 21.2 1.0 C7 B:BHZ504 3.1 13.3 1.0 C6 B:BHZ504 3.1 13.9 1.0 C1 B:BHZ504 3.5 14.8 1.0 O B:HOH685 4.1 25.3 1.0 O20 B:BHZ504 4.1 14.7 1.0 O23 B:BHZ504 4.2 23.3 1.0 NH2 B:ARG137 4.3 10.0 1.0 C5 B:BHZ504 4.3 15.3 1.0 C13 B:BHZ504 4.4 23.5 1.0 C2 B:BHZ504 4.9 12.1 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