Manganese in PDB 4myf: Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0:
3.5.3.8;

The structure of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0, PDB code: 4myf was solved by Y.Hai, R.J.Dugery, D.Healy, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.14 / 1.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	129.548, 129.548, 42.665, 90.00, 90.00, 120.00
R / Rfree (%)	17.1 / 21

The binding sites of Manganese atom in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0 (pdb code 4myf). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0, PDB code: 4myf:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn400 b:23.4 occ:0.40 OD2 A:ASP228 2.2 20.5 1.0 OD2 A:ASP138 2.2 23.4 1.0 O A:HOH617 2.2 22.9 1.0 OD1 A:ASN114 2.3 35.3 1.0 OD2 A:ASP142 2.4 42.0 1.0 ND2 A:ASN114 2.5 23.4 1.0 CG A:ASN114 2.5 36.3 1.0 OD1 A:ASP142 3.0 37.3 1.0 CG A:ASP142 3.0 39.0 1.0 CG A:ASP138 3.0 23.8 1.0 MN A:MN401 3.1 22.0 1.0 CG A:ASP228 3.2 21.1 1.0 OD1 A:ASP138 3.4 17.4 1.0 CB A:ASP228 3.7 20.7 1.0 CB A:ASN114 3.7 27.3 1.0 O A:HOH678 4.0 23.3 1.0 CB A:ASP138 4.2 15.8 1.0 OD1 A:ASP228 4.3 17.7 1.0 CB A:ASP142 4.3 29.5 1.0 O A:HOH667 4.6 37.3 1.0 CG A:GLU273 4.8 17.4 1.0 O A:HOH549 4.8 22.8 1.0 OD2 A:ASP230 4.8 21.9 1.0 OD1 A:ASN136 4.8 19.5 1.0 ND1 A:HIS140 4.9 23.5 1.0 CA A:ASN114 4.9 24.3 1.0 OD1 A:ASP230 5.0 22.4 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase(Oxidized) with MN2+2 at pH 6.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:22.0 occ:1.00 OD1 A:ASP138 2.2 17.4 1.0 OD2 A:ASP228 2.2 20.5 1.0 ND1 A:HIS140 2.3 23.5 1.0 O A:HOH617 2.3 22.9 1.0 OD1 A:ASP230 2.3 22.4 1.0 OD2 A:ASP230 2.4 21.9 1.0 CG A:ASP230 2.7 22.6 1.0 CE1 A:HIS140 3.0 26.6 1.0 CG A:ASP228 3.1 21.1 1.0 CG A:ASP138 3.1 23.8 1.0 MN A:MN400 3.1 23.4 0.4 CG A:HIS140 3.4 25.7 1.0 OD2 A:ASP138 3.4 23.4 1.0 OD1 A:ASP228 3.5 17.7 1.0 CB A:HIS140 3.8 24.4 1.0 O A:HOH667 4.1 37.3 1.0 N A:HIS140 4.1 22.3 1.0 OG A:SER139 4.1 27.9 1.0 CB A:ASP230 4.2 19.0 1.0 ND2 A:ASN114 4.2 23.4 1.0 NE2 A:HIS140 4.2 32.2 1.0 CB A:ASP228 4.2 20.7 1.0 N A:SER139 4.4 18.9 1.0 CD2 A:HIS140 4.4 34.9 1.0 CB A:ASP138 4.5 15.8 1.0 OD1 A:ASP142 4.5 37.3 1.0 CA A:HIS140 4.6 24.9 1.0 OD1 A:ASN114 4.6 35.3 1.0 SG A:CYS35 4.7 30.3 1.0 O A:HOH597 4.7 22.8 1.0 CA A:ASP138 4.8 15.5 1.0 CB A:CYS35 4.8 25.9 1.0 CG A:ASN114 4.9 36.3 1.0 CG A:GLU273 4.9 17.4 1.0 C A:ASP138 5.0 16.7 1.0 C A:ASP230 5.0 18.1 1.0 CA A:ASP230 5.0 18.8 1.0

Y.Hai, R.J.Dugery, D.Healy, D.W.Christianson. Formiminoglutamase From Trypanosoma Cruzi Is An Arginase-Like Manganese Metalloenzyme. Biochemistry V. 52 9294 2013.
ISSN: ISSN 0006-2960
PubMed: 24261485
DOI: 10.1021/BI401352H