Chlorine 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:

Iron

(Fe)

2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Structure of the Reduced Nika/1 Hybrid, Nika/1-Red, PDB code: 3mvx:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl512 b:53.4 occ:1.00 O B:HOH808 2.7 23.1 1.0 OG A:SER233 3.0 13.5 1.0 CB A:SER233 3.7 11.7 1.0 O B:HOH761 3.9 17.0 1.0 CA B:GLY304 4.0 9.8 1.0 CA A:ALA230 4.0 11.0 1.0 CB A:ALA230 4.2 12.3 1.0 ND2 B:ASN302 4.3 13.7 1.0 O A:ALA230 4.4 11.6 1.0 N B:GLY304 4.4 10.3 1.0 OD1 B:ASN302 4.6 15.8 1.0 CE2 A:PHE229 4.7 14.7 1.0 C A:ALA230 4.7 10.8 1.0 CG B:ASN302 4.9 13.8 1.0 CD2 A:PHE229 4.9 10.0 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl506 b:39.5 occ:1.00 O B:HOH816 2.7 20.6 1.0 N B:PHE28 3.0 13.6 1.0 O B:HOH668 3.2 22.5 1.0 N B:MET27 3.5 10.8 1.0 CB B:MET27 3.6 14.2 1.0 CD1 B:PHE28 3.6 14.1 1.0 CB B:PHE28 3.8 15.1 1.0 CA B:MET27 3.8 14.3 1.0 C B:MET27 3.8 14.2 1.0 O B:THR490 3.8 14.7 1.0 CZ2 B:TRP10 3.9 17.0 1.0 CA B:PHE28 3.9 13.0 1.0 C B:GLN26 4.2 12.0 1.0 CG B:PHE28 4.2 12.8 1.0 CG B:MET27 4.4 15.8 1.0 CH2 B:TRP10 4.4 19.0 1.0 CB B:GLN26 4.6 11.3 1.0 CA B:GLN26 4.6 11.3 1.0 CB B:THR490 4.7 14.7 1.0 NE2 B:GLN26 4.7 11.9 1.0 CE1 B:PHE28 4.7 13.1 1.0 CE2 B:TRP10 4.8 14.0 1.0 C B:THR490 4.8 13.2 1.0 O B:MET27 4.9 12.8 1.0 O B:HOH691 4.9 24.3 1.0 SD B:MET27 5.0 17.8 1.0 O B:GLN26 5.0 12.4 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