Manganese in PDB 2ciz: Chloroperoxidase Complexed with Acetate

All present enzymatic activity of Chloroperoxidase Complexed with Acetate:
1.11.1.10;

The structure of Chloroperoxidase Complexed with Acetate, PDB code: 2ciz was solved by K.Kuhnel, W.Blankenfeldt, J.Terner, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.78 / 1.3
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	57.460, 150.820, 100.390, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 17

The structure of Chloroperoxidase Complexed with Acetate also contains other interesting chemical elements:

Bromine	(Br)	3 atoms
Iron	(Fe)	1 atom

The binding sites of Manganese atom in the Chloroperoxidase Complexed with Acetate (pdb code 2ciz). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total only one binding site of Manganese was determined in the Chloroperoxidase Complexed with Acetate, PDB code: 2ciz:

Manganese binding site 1 out of 1 in the Chloroperoxidase Complexed with Acetate


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Chloroperoxidase Complexed with Acetate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn1299 b:13.2 occ:1.00 O A:HIS105 2.0 10.9 1.0 OE2 A:GLU104 2.1 10.4 1.0 O1A A:HEM1300 2.1 9.7 1.0 OG A:SER108 2.1 9.2 1.0 O A:HOH2525 2.2 9.6 1.0 O A:HOH2524 2.3 10.8 1.0 CD A:GLU104 3.1 10.3 1.0 CGA A:HEM1300 3.1 8.5 1.0 C A:HIS105 3.3 10.0 1.0 CB A:SER108 3.4 9.7 1.0 O2A A:HEM1300 3.5 8.6 1.0 CG A:GLU104 3.6 9.1 1.0 N A:HIS105 3.7 9.4 1.0 CA A:HIS105 4.1 10.2 1.0 O A:HOH2138 4.2 8.8 1.0 O A:HOH2304 4.2 10.8 1.0 OE1 A:GLU104 4.2 10.3 1.0 N A:ASP106 4.3 10.1 1.0 O A:ASN127 4.4 10.8 1.0 N A:SER108 4.4 9.2 1.0 CA A:SER108 4.4 9.4 1.0 ND1 A:HIS105 4.5 10.2 1.0 CBA A:HEM1300 4.5 8.4 1.0 CA A:ASP106 4.6 10.5 1.0 OD1 A:ASP113 4.6 11.6 1.0 CB A:ARG111 4.6 9.3 1.0 C A:GLU104 4.7 9.9 1.0 O A:LYS112 4.7 10.7 1.0 C A:ASP106 4.7 10.4 1.0 CG A:HIS105 4.8 9.2 1.0 CB A:GLU104 4.8 10.0 1.0 O A:ASP106 4.8 10.3 1.0 CE1 A:HIS105 4.8 9.4 1.0 CA A:GLU104 4.9 9.5 1.0

K.Kuhnel, W.Blankenfeldt, J.Terner, I.Schlichting. Crystal Structures of Chloroperoxidase with Its Bound Substrates and Complexed with Formate, Acetate, and Nitrate. J.Biol.Chem. V. 281 23990 2006.
ISSN: ISSN 0021-9258
PubMed: 16790441
DOI: 10.1074/JBC.M603166200