Iron in PDB 3mz9: X-Ray Structure of Nika in Complex with Hbed

All present enzymatic activity of X-Ray Structure of Nika in Complex with Hbed:
3.6.3.24;

The structure of X-Ray Structure of Nika in Complex with Hbed, PDB code: 3mz9 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 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.083, 93.848, 124.731, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 21.9

The structure of X-Ray Structure of Nika in Complex with Hbed also contains other interesting chemical elements:

Chlorine

(Cl)

4 atoms

The binding sites of Iron atom in the X-Ray Structure of Nika in Complex with Hbed (pdb code 3mz9). 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 Hbed, PDB code: 3mz9:
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 Hbed


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 Hbed within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe503 b:27.7 occ:1.00 O18 A:BHN504 1.7 33.2 1.0 O6 A:BHN504 1.7 30.4 1.0 N11 A:BHN504 2.1 33.2 1.0 N8 A:BHN504 2.2 30.6 1.0 O21 A:BHN504 2.2 22.7 1.0 O23 A:BHN504 2.3 33.4 1.0 C6 A:BHN504 2.8 28.9 1.0 C18 A:BHN504 2.9 34.0 1.0 C9 A:BHN504 3.0 31.3 1.0 C20 A:BHN504 3.0 24.3 1.0 C10 A:BHN504 3.0 33.4 1.0 C22 A:BHN504 3.0 33.7 1.0 C21 A:BHN504 3.0 33.6 1.0 C7 A:BHN504 3.1 30.0 1.0 C19 A:BHN504 3.1 26.9 1.0 C12 A:BHN504 3.1 33.5 1.0 C1 A:BHN504 3.3 29.6 1.0 C13 A:BHN504 3.4 33.0 1.0 O A:HOH867 3.7 52.4 1.0 C5 A:BHN504 4.0 30.5 1.0 C17 A:BHN504 4.1 35.8 1.0 O A:HOH927 4.2 37.1 1.0 O20 A:BHN504 4.2 25.0 1.0 O22 A:BHN504 4.2 34.7 1.0 NH2 A:ARG137 4.3 21.1 1.0 C2 A:BHN504 4.7 29.1 1.0 C14 A:BHN504 4.8 34.2 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of Nika in Complex with Hbed


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 Hbed within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe503 b:21.6 occ:1.00 O6 B:BHN504 1.8 21.3 1.0 O18 B:BHN504 1.9 32.9 1.0 O23 B:BHN504 2.1 28.1 1.0 O21 B:BHN504 2.2 19.2 1.0 N11 B:BHN504 2.2 29.4 1.0 N8 B:BHN504 2.3 26.9 1.0 C6 B:BHN504 2.9 23.5 1.0 C22 B:BHN504 3.0 29.0 1.0 C18 B:BHN504 3.0 31.9 1.0 C20 B:BHN504 3.0 20.3 1.0 C7 B:BHN504 3.0 25.2 1.0 C10 B:BHN504 3.1 28.8 1.0 C9 B:BHN504 3.1 26.4 1.0 C21 B:BHN504 3.1 29.1 1.0 C19 B:BHN504 3.2 21.9 1.0 C12 B:BHN504 3.2 29.8 1.0 C1 B:BHN504 3.3 24.3 1.0 C13 B:BHN504 3.4 30.8 1.0 C5 B:BHN504 4.1 25.8 1.0 C17 B:BHN504 4.2 32.8 1.0 O22 B:BHN504 4.2 28.8 1.0 O20 B:BHN504 4.2 20.9 1.0 O B:HOH924 4.2 43.7 1.0 NH2 B:ARG137 4.3 17.0 1.0 C2 B:BHN504 4.7 23.8 1.0 C14 B:BHN504 4.8 32.4 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