Manganese in PDB 4mxr: Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2

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

The structure of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2, PDB code: 4mxr 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)	21.96 / 1.85
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	128.922, 128.922, 85.377, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 21.7

The binding sites of Manganese atom in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2 (pdb code 4mxr). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 4 binding sites of Manganese where determined in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2, PDB code: 4mxr:
Jump to Manganese binding site number: 1; 2; 3; 4;

Manganese binding site 1 out of 4 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase 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 with MN2+2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:25.5 occ:1.00 OD2 A:ASP142 2.1 25.9 1.0 OD1 A:ASN114 2.1 24.1 1.0 OD2 A:ASP228 2.2 20.1 1.0 OD2 A:ASP138 2.2 19.9 1.0 O A:HOH551 2.3 23.1 1.0 O A:HOH523 2.5 29.0 1.0 CG A:ASP142 3.0 26.6 1.0 CG A:ASN114 3.1 25.6 1.0 CG A:ASP138 3.2 21.9 1.0 CG A:ASP228 3.2 22.8 1.0 MN A:MN402 3.2 25.1 1.0 OD1 A:ASP142 3.3 26.6 1.0 CB A:ASN114 3.6 20.1 1.0 OD1 A:ASP138 3.6 19.7 1.0 CB A:ASP228 3.7 20.2 1.0 ND2 A:ASN114 4.2 20.6 1.0 OD1 A:ASP228 4.3 19.4 1.0 O A:SER154 4.3 29.1 1.0 CB A:ASP142 4.3 23.2 1.0 CB A:ASP138 4.5 17.2 1.0 O A:HOH606 4.6 39.9 1.0 CG A:GLU273 4.7 20.2 1.0 OD2 A:ASP230 4.7 23.8 1.0 ND1 A:HIS140 4.9 26.5 1.0 O A:HOH532 5.0 24.4 1.0

Manganese binding site 2 out of 4 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase 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 with MN2+2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:25.1 occ:1.00 OD1 A:ASP138 2.2 19.7 1.0 OD1 A:ASP230 2.3 22.2 1.0 ND1 A:HIS140 2.3 26.5 1.0 OD2 A:ASP230 2.3 23.8 1.0 O A:HOH551 2.4 23.1 1.0 OD2 A:ASP228 2.4 20.1 1.0 CG A:ASP230 2.6 22.7 1.0 CG A:ASP138 3.1 21.9 1.0 CE1 A:HIS140 3.1 32.5 1.0 CG A:ASP228 3.2 22.8 1.0 MN A:MN401 3.2 25.5 1.0 OD2 A:ASP138 3.3 19.9 1.0 CG A:HIS140 3.4 26.7 1.0 OD1 A:ASP228 3.6 19.4 1.0 CB A:HIS140 3.9 26.4 1.0 O A:HOH606 3.9 39.9 1.0 OG A:SER139 3.9 28.2 1.0 N A:HIS140 4.0 22.1 1.0 CB A:ASP230 4.2 21.8 1.0 CB A:ASP228 4.2 20.2 1.0 O A:HOH523 4.3 29.0 1.0 NE2 A:HIS140 4.3 33.8 1.0 N A:SER139 4.3 19.2 1.0 CB A:ASP138 4.4 17.2 1.0 CD2 A:HIS140 4.5 31.9 1.0 CA A:HIS140 4.6 24.5 1.0 OD1 A:ASP142 4.6 26.6 1.0 O A:HOH524 4.8 21.9 1.0 CA A:ASP138 4.8 19.9 1.0 OD2 A:ASP142 4.9 25.9 1.0 C A:ASP230 5.0 21.3 1.0 C A:SER139 5.0 20.4 1.0 CA A:ASP230 5.0 21.2 1.0 C A:ASP138 5.0 22.5 1.0 OD1 A:ASN114 5.0 24.1 1.0

Manganese binding site 3 out of 4 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 3 of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn400 b:27.2 occ:1.00 OD2 B:ASP228 2.1 20.1 1.0 OD2 B:ASP142 2.2 26.9 1.0 OD1 B:ASN114 2.2 23.6 1.0 OD2 B:ASP138 2.2 24.8 1.0 O B:HOH514 2.5 28.5 1.0 CG B:ASP142 3.0 30.6 1.0 CG B:ASN114 3.1 24.4 1.0 CG B:ASP228 3.2 19.7 1.0 MN B:MN401 3.2 25.4 1.0 CG B:ASP138 3.2 24.7 1.0 OD1 B:ASP142 3.3 26.9 1.0 OD1 B:ASP138 3.6 21.1 1.0 CB B:ASN114 3.6 24.8 1.0 CB B:ASP228 3.6 21.5 1.0 OD1 B:ASP228 4.2 18.7 1.0 O B:SER154 4.2 34.1 1.0 ND2 B:ASN114 4.3 22.1 1.0 CB B:ASP142 4.4 23.7 1.0 CB B:ASP138 4.5 17.7 1.0 CG B:GLU273 4.7 21.8 1.0 OD2 B:ASP230 4.8 27.5 1.0 ND1 B:HIS140 4.9 25.7 1.0 O B:HOH528 4.9 22.9 1.0

Manganese binding site 4 out of 4 in the Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 4 of Crystal Structure of Trypanosoma Cruzi Formiminoglutamase with MN2+2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn401 b:25.4 occ:1.00 OD1 B:ASP138 2.2 21.1 1.0 OD2 B:ASP228 2.3 20.1 1.0 ND1 B:HIS140 2.3 25.7 1.0 OD1 B:ASP230 2.3 18.9 1.0 OD2 B:ASP230 2.3 27.5 1.0 CG B:ASP230 2.7 25.6 1.0 CE1 B:HIS140 3.1 28.4 1.0 CG B:ASP138 3.1 24.7 1.0 CG B:ASP228 3.1 19.7 1.0 MN B:MN400 3.2 27.2 1.0 OD2 B:ASP138 3.3 24.8 1.0 CG B:HIS140 3.4 29.4 1.0 OD1 B:ASP228 3.6 18.7 1.0 CB B:HIS140 3.8 26.2 1.0 OG B:SER139 4.0 29.4 1.0 N B:HIS140 4.0 21.0 1.0 CB B:ASP228 4.1 21.5 1.0 CB B:ASP230 4.2 21.2 1.0 NE2 B:HIS140 4.3 35.1 1.0 O B:HOH514 4.4 28.5 1.0 N B:SER139 4.4 20.2 1.0 CD2 B:HIS140 4.5 35.5 1.0 CB B:ASP138 4.5 17.7 1.0 CA B:HIS140 4.5 26.2 1.0 OD1 B:ASP142 4.6 26.9 1.0 CA B:ASP138 4.8 18.7 1.0 O B:HOH515 4.9 24.0 1.0 OD2 B:ASP142 4.9 26.9 1.0 OD1 B:ASN114 5.0 23.6 1.0 C B:ASP230 5.0 21.2 1.0 C B:ASP138 5.0 19.2 1.0 C B:SER139 5.0 19.4 1.0 CA B:ASP230 5.0 20.9 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