Iron in PDB 3mvy: X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation

All present enzymatic activity of X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation:
3.6.3.24;

The structure of X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation, PDB code: 3mvy 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)	43.49 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.985, 95.172, 125.049, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 24.9

The structure of X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation (pdb code 3mvy). 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 Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation, PDB code: 3mvy:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation


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 Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe510 b:14.5 occ:1.00 O6 A:BHZ511 1.9 31.3 1.0 O2 A:PER512 2.0 22.2 1.0 O20 A:BHZ511 2.2 23.9 1.0 O22 A:BHZ511 2.2 16.2 1.0 N11 A:BHZ511 2.2 17.8 1.0 N8 A:BHZ511 2.2 20.7 1.0 C19 A:BHZ511 2.8 22.0 1.0 C20 A:BHZ511 2.9 23.0 1.0 C22 A:BHZ511 3.0 16.8 1.0 C10 A:BHZ511 3.0 17.9 1.0 C21 A:BHZ511 3.0 17.0 1.0 C6 A:BHZ511 3.0 30.1 1.0 C9 A:BHZ511 3.1 18.1 1.0 C12 A:BHZ511 3.2 18.1 1.0 C7 A:BHZ511 3.2 24.4 1.0 C18 A:BHZ511 3.3 17.1 1.0 O1 A:PER512 3.3 20.5 1.0 C1 A:BHZ511 3.5 27.9 1.0 C13 A:BHZ511 3.6 18.4 1.0 O A:HOH612 3.9 15.5 1.0 NH2 A:ARG137 4.1 5.7 1.0 O21 A:BHZ511 4.1 24.6 1.0 C5 A:BHZ511 4.2 31.3 1.0 O23 A:BHZ511 4.2 16.7 1.0 O A:HOH544 4.3 14.9 1.0 C17 A:BHZ511 4.4 18.0 1.0 C14 A:BHZ511 4.9 17.9 1.0 C2 A:BHZ511 4.9 30.4 1.0 CD2 A:TYR22 5.0 15.2 1.0

Iron binding site 2 out of 2 in the X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation


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 Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe506 b:20.6 occ:1.00 O6 B:BHZ507 1.8 32.3 1.0 O2 B:PER508 2.1 30.4 1.0 N11 B:BHZ507 2.2 22.8 1.0 O20 B:BHZ507 2.2 29.4 1.0 O22 B:BHZ507 2.3 22.8 1.0 N8 B:BHZ507 2.3 25.0 1.0 C10 B:BHZ507 3.0 22.9 1.0 C21 B:BHZ507 3.0 22.7 1.0 C6 B:BHZ507 3.0 31.1 1.0 C22 B:BHZ507 3.0 22.3 1.0 C19 B:BHZ507 3.0 26.0 1.0 C20 B:BHZ507 3.1 29.0 1.0 C9 B:BHZ507 3.1 23.9 1.0 C7 B:BHZ507 3.3 25.2 1.0 C12 B:BHZ507 3.3 22.1 1.0 O1 B:PER508 3.4 25.5 1.0 C1 B:BHZ507 3.5 29.1 1.0 C18 B:BHZ507 3.5 17.2 1.0 O B:HOH669 3.7 19.9 1.0 C13 B:BHZ507 3.8 18.9 1.0 NH2 B:ARG137 4.1 18.2 1.0 C5 B:BHZ507 4.2 32.3 1.0 O23 B:BHZ507 4.2 21.9 1.0 O21 B:BHZ507 4.3 27.5 1.0 CD2 B:TYR22 4.7 14.9 1.0 C17 B:BHZ507 4.7 17.5 1.0 C2 B:BHZ507 4.9 30.0 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