Iron in PDB 3mvx: X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red

All present enzymatic activity of X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red:
3.6.3.24;

The structure of X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red, PDB code: 3mvx 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)	47.30 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.967, 94.616, 125.025, 90.00, 90.00, 90.00
R / Rfree (%)	16.4 / 20.4

The structure of X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red (pdb code 3mvx). 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 Reduced Nika/1 Hybrid, Nika/1-Red, PDB code: 3mvx:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red


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 Reduced Nika/1 Hybrid, Nika/1-Red within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:11.2 occ:1.00 O6 A:BHZ504 2.0 11.3 1.0 O20 A:BHZ504 2.1 13.3 1.0 O22 A:BHZ504 2.1 9.7 1.0 N8 A:BHZ504 2.1 10.8 1.0 O A:HOH520 2.2 15.3 1.0 N11 A:BHZ504 2.3 12.4 1.0 C20 A:BHZ504 2.9 14.3 1.0 C19 A:BHZ504 2.9 12.2 1.0 C9 A:BHZ504 3.0 10.0 1.0 C22 A:BHZ504 3.0 9.0 1.0 C6 A:BHZ504 3.0 12.8 1.0 C10 A:BHZ504 3.0 10.4 1.0 C7 A:BHZ504 3.1 14.5 1.0 C21 A:BHZ504 3.1 9.0 1.0 C12 A:BHZ504 3.2 12.3 1.0 C1 A:BHZ504 3.5 14.3 1.0 C18 A:BHZ504 3.5 9.9 1.0 C13 A:BHZ504 3.8 8.4 1.0 NH2 A:ARG137 4.1 8.2 1.0 O21 A:BHZ504 4.1 15.9 1.0 C5 A:BHZ504 4.2 13.7 1.0 O23 A:BHZ504 4.2 11.1 1.0 O A:HOH572 4.4 17.1 1.0 O A:HOH654 4.6 28.7 1.0 C17 A:BHZ504 4.7 12.0 1.0 C2 A:BHZ504 4.9 15.4 1.0 CD2 A:TYR22 4.9 10.3 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red


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 Reduced Nika/1 Hybrid, Nika/1-Red within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:12.4 occ:1.00 O6 B:BHZ504 1.9 14.5 1.0 O22 B:BHZ504 2.1 11.3 1.0 O B:HOH778 2.1 19.8 1.0 O20 B:BHZ504 2.2 15.0 1.0 N8 B:BHZ504 2.2 15.0 1.0 N11 B:BHZ504 2.3 11.5 1.0 C19 B:BHZ504 2.9 16.9 1.0 C20 B:BHZ504 2.9 17.7 1.0 C22 B:BHZ504 3.0 10.5 1.0 C6 B:BHZ504 3.0 13.9 1.0 C10 B:BHZ504 3.1 12.9 1.0 C9 B:BHZ504 3.1 12.3 1.0 C7 B:BHZ504 3.1 13.5 1.0 C21 B:BHZ504 3.2 11.2 1.0 C12 B:BHZ504 3.2 11.4 1.0 C1 B:BHZ504 3.5 15.4 1.0 C18 B:BHZ504 3.6 12.4 1.0 C13 B:BHZ504 3.8 11.6 1.0 NH2 B:ARG137 4.1 9.7 1.0 C5 B:BHZ504 4.2 16.1 1.0 O21 B:BHZ504 4.2 17.6 1.0 O23 B:BHZ504 4.2 12.8 1.0 O B:HOH780 4.3 32.7 1.0 O B:HOH551 4.4 21.1 1.0 C17 B:BHZ504 4.8 13.9 1.0 CD2 B:TYR22 4.8 11.9 1.0 C2 B:BHZ504 4.8 18.5 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