Manganese in PDB 4myn: Crystal Structure of Trypanosoma Cruzi Formiminoglutamase N114H Variant with MN2+2

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase N114H Variant with MN2+2:
3.5.3.8;

The structure of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase N114H Variant with MN2+2, PDB code: 4myn 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)	30.01 / 1.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	129.431, 129.431, 42.522, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.2

The binding sites of Manganese atom in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase N114H Variant with MN2+2 (pdb code 4myn). 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 N114H Variant with MN2+2, PDB code: 4myn:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase N114H Variant with MN2+2


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 N114H Variant with MN2+2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn400 b:31.1 occ:0.75 OD2 A:ASP228 2.2 26.7 1.0 OD2 A:ASP138 2.2 26.8 1.0 ND1 A:HIS114 2.2 28.7 1.0 OD2 A:ASP142 2.2 37.6 1.0 O A:HOH552 2.3 28.3 1.0 O A:HOH577 2.4 37.7 1.0 CG A:ASP142 3.1 36.5 1.0 CG A:ASP138 3.2 30.2 1.0 MN A:MN401 3.2 27.5 1.0 CE1 A:HIS114 3.2 25.6 1.0 CG A:HIS114 3.2 28.5 1.0 CG A:ASP228 3.2 26.4 1.0 OD1 A:ASP142 3.4 32.3 1.0 OD1 A:ASP138 3.5 24.8 1.0 CB A:HIS114 3.5 28.4 1.0 CB A:ASP228 3.7 25.9 1.0 O A:SER154 4.2 41.5 1.0 OD1 A:ASP228 4.3 24.1 1.0 NE2 A:HIS114 4.3 29.6 1.0 CD2 A:HIS114 4.4 27.4 1.0 CB A:ASP142 4.4 33.7 1.0 CB A:ASP138 4.4 24.3 1.0 CG A:GLU273 4.7 22.9 1.0 OD2 A:ASP230 4.8 31.4 1.0 ND1 A:HIS140 4.9 26.8 1.0 OD1 A:ASN136 4.9 25.0 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase N114H Variant with MN2+2


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 N114H Variant with MN2+2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:27.5 occ:1.00 OD1 A:ASP138 2.2 24.8 1.0 O A:HOH552 2.2 28.3 1.0 ND1 A:HIS140 2.2 26.8 1.0 OD2 A:ASP228 2.2 26.7 1.0 OD1 A:ASP230 2.3 22.6 1.0 OD2 A:ASP230 2.4 31.4 1.0 CG A:ASP230 2.7 28.6 1.0 CE1 A:HIS140 3.0 32.8 1.0 CG A:ASP138 3.1 30.2 1.0 CG A:ASP228 3.1 26.4 1.0 MN A:MN400 3.2 31.1 0.8 OD2 A:ASP138 3.3 26.8 1.0 CG A:HIS140 3.3 30.4 1.0 OD1 A:ASP228 3.7 24.1 1.0 CB A:HIS140 3.8 30.4 1.0 OG A:SER139 4.0 33.9 1.0 O A:HOH577 4.0 37.7 1.0 N A:HIS140 4.0 24.6 1.0 CB A:ASP228 4.1 25.9 1.0 NE2 A:HIS140 4.2 34.3 1.0 CB A:ASP230 4.2 28.4 1.0 N A:SER139 4.3 25.4 1.0 CD2 A:HIS140 4.4 35.6 1.0 CB A:ASP138 4.4 24.3 1.0 OD1 A:ASP142 4.5 32.3 1.0 CA A:HIS140 4.5 30.5 1.0 O A:HOH525 4.6 45.7 1.0 CA A:ASP138 4.7 23.8 1.0 O A:HOH550 4.8 28.9 1.0 OD2 A:ASP142 4.8 37.6 1.0 C A:ASP138 4.9 24.1 1.0 C A:SER139 5.0 25.4 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