Chlorine 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:

Iron

(Fe)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Diatomic Oxo-Intermediate Nika/1-Int', Prior Hydroxylation, PDB code: 3mvy:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl513 b:27.9 occ:1.00 N A:HIS442 3.5 25.6 1.0 N A:ASP443 3.5 25.1 1.0 CA A:HIS442 4.1 26.1 1.0 C A:HIS442 4.1 26.0 1.0 CB A:HIS442 4.3 25.8 1.0 CB A:ASP443 4.3 24.2 1.0 CA A:ASP443 4.4 24.0 1.0 C A:THR441 4.5 24.8 1.0 CA A:THR441 4.5 24.4 1.0 CG2 A:THR441 4.8 25.1 1.0 O A:ALA440 4.8 24.0 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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 A:Cl514 b:42.8 occ:1.00 NH1 A:ARG68 3.8 24.0 1.0 NH2 A:ARG68 3.9 26.9 1.0 CZ A:ARG68 4.4 25.9 1.0 CH3 A:ACT503 4.9 53.8 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