Calcium in PDB 4ac8: R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix

All present enzymatic activity of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix:
1.17.4.1;

The structure of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix, PDB code: 4ac8 was solved by C.S.Andersson, C.L.Berthold, M.Hogbom, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.72 / 2.75
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	109.990, 210.850, 139.960, 90.00, 90.00, 90.00
R / Rfree (%)	22 / 26.8

The structure of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix also contains other interesting chemical elements:

Manganese	(Mn)	4 atoms
Iron	(Fe)	4 atoms

The binding sites of Calcium atom in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix (pdb code 4ac8). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix, PDB code: 4ac8:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1313 b:29.1 occ:1.00 O A:HOH2030 2.3 13.5 1.0 OD1 A:ASP268 2.4 22.8 1.0 O A:HOH2032 2.5 14.3 1.0 OE2 A:GLU304 3.3 50.1 1.0 CG A:ASP268 3.4 23.3 1.0 OD2 A:ASP268 3.7 23.0 1.0 CD A:GLU304 4.4 48.3 1.0 CB A:ASP268 4.8 23.2 1.0 O A:ASP268 4.9 23.7 1.0 OE1 A:GLU304 4.9 47.9 1.0

Calcium binding site 2 out of 2 in the R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of R2-Like Ligand Binding Mn-Fe Oxidase From M. Tuberculosis with An Organized C-Terminal Helix within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1311 b:33.2 occ:1.00 O B:HOH2023 2.3 28.0 1.0 OD1 C:ASP268 2.4 30.4 1.0 OD1 B:ASP268 2.5 26.8 1.0 O B:HOH2025 2.6 26.7 1.0 CG B:ASP268 3.3 26.4 1.0 OE2 B:GLU304 3.4 39.7 1.0 OD2 B:ASP268 3.4 25.7 1.0 CG C:ASP268 3.4 29.6 1.0 OD2 C:ASP268 3.8 29.4 1.0 CD B:GLU304 4.4 40.0 1.0 O C:ASP268 4.6 25.5 1.0 CB C:ASP268 4.7 27.9 1.0 OE2 C:GLU304 4.7 33.6 1.0 CB B:ASP268 4.8 25.9 1.0 OE1 B:GLU304 4.8 41.0 1.0 OE1 C:GLU304 4.8 34.0 1.0 CB C:ARG272 4.8 28.9 1.0

C.S.Andersson, C.L.Berthold, M.Hogbom. A Dynamic C-Terminal Segment in the Mycobacterium Tuberculosis Mn/Fe R2LOX Protein Can Adopt A Helical Structure with Possible Functional Consequences. Chem.Biodivers. V. 9 1981 2012.
ISSN: ISSN 1612-1872
PubMed: 22976985
DOI: 10.1002/CBDV.201100428