Manganese in PDB 4iu4: Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Bec

All present enzymatic activity of Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Bec:
3.5.3.1;

The structure of Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Bec, PDB code: 4iu4 was solved by E.L.D'antonio, B.Ullman, S.C.Roberts, U.Gaur Dixit, M.E.Wilson, Y.Hai, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	88.462, 88.462, 113.963, 90.00, 90.00, 120.00
R / Rfree (%)	16.1 / 19.3

The binding sites of Manganese atom in the Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Bec (pdb code 4iu4). 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 Leishmania Mexicana Arginase in Complex with Inhibitor Bec, PDB code: 4iu4:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Bec


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 Leishmania Mexicana Arginase in Complex with Inhibitor Bec within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:16.6 occ:1.00 OD2 A:ASP137 2.1 15.1 1.0 OD2 A:ASP141 2.1 15.5 1.0 OD2 A:ASP243 2.2 17.3 1.0 O1 A:S2C405 2.2 26.3 1.0 ND1 A:HIS114 2.3 18.1 1.0 O2 A:S2C405 2.3 23.5 1.0 B A:S2C405 2.8 26.1 1.0 CG A:ASP141 3.1 17.1 1.0 CG A:ASP137 3.1 15.6 1.0 CG A:ASP243 3.2 16.7 1.0 CG A:HIS114 3.2 17.9 1.0 OD1 A:ASP141 3.3 16.4 1.0 CE1 A:HIS114 3.4 16.9 1.0 MN A:MN402 3.4 16.2 1.0 CB A:HIS114 3.4 18.0 1.0 OD1 A:ASP137 3.4 12.4 1.0 CB A:ASP243 3.6 14.9 1.0 O3 A:S2C405 3.8 28.0 1.0 CE A:S2C405 4.1 28.6 1.0 NE1 A:TRP135 4.1 15.5 1.0 OD1 A:ASP243 4.3 16.6 1.0 CD2 A:HIS114 4.4 17.6 1.0 CB A:ASP137 4.4 13.8 1.0 NE2 A:HIS114 4.4 17.3 1.0 CB A:ASP141 4.4 16.4 1.0 O A:HIS154 4.5 21.6 1.0 CZ2 A:TRP135 4.6 16.9 1.0 CE2 A:TRP135 4.7 16.6 1.0 CG A:GLU288 4.8 20.0 1.0 OE2 A:GLU288 4.8 19.8 1.0 CD A:S2C405 4.8 32.3 1.0 CA A:HIS114 4.9 17.0 1.0 CA A:ASP243 4.9 15.3 1.0

Manganese binding site 2 out of 2 in the Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Bec


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 Leishmania Mexicana Arginase in Complex with Inhibitor Bec within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:16.2 occ:1.00 OD1 A:ASP245 2.1 18.1 1.0 OD1 A:ASP137 2.2 12.4 1.0 O1 A:S2C405 2.2 26.3 1.0 OD2 A:ASP243 2.4 17.3 1.0 ND1 A:HIS139 2.4 18.8 1.0 OD2 A:ASP245 2.5 17.6 1.0 CG A:ASP245 2.6 19.6 1.0 O3 A:S2C405 2.6 28.0 1.0 B A:S2C405 3.0 26.1 1.0 CG A:ASP243 3.1 16.7 1.0 CG A:ASP137 3.2 15.6 1.0 CE1 A:HIS139 3.2 17.3 1.0 MN A:MN401 3.4 16.6 1.0 CG A:HIS139 3.4 17.1 1.0 OD2 A:ASP137 3.5 15.1 1.0 OD1 A:ASP243 3.6 16.6 1.0 CB A:HIS139 3.8 16.9 1.0 N A:HIS139 3.9 15.8 1.0 O2 A:S2C405 4.0 23.5 1.0 OG1 A:THR257 4.0 33.6 1.0 CB A:ASP243 4.1 14.9 1.0 CB A:ASP245 4.1 17.6 1.0 N A:ALA138 4.1 14.6 1.0 CE A:S2C405 4.2 28.6 1.0 CD A:S2C405 4.2 32.3 1.0 NE2 A:HIS139 4.4 16.6 1.0 CB A:ASP137 4.5 13.8 1.0 CA A:HIS139 4.5 15.2 1.0 CD2 A:HIS139 4.5 16.6 1.0 OD1 A:ASP141 4.6 16.4 1.0 O A:HOH558 4.7 29.3 1.0 CB A:ALA138 4.7 15.4 1.0 C A:ALA138 4.8 13.7 1.0 CA A:ALA138 4.8 14.1 1.0 CA A:ASP137 4.8 14.8 1.0 OD2 A:ASP141 4.9 15.5 1.0 C A:ASP137 5.0 14.4 1.0

E.L.D'antonio, B.Ullman, S.C.Roberts, U.G.Dixit, M.E.Wilson, Y.Hai, D.W.Christianson. Crystal Structure of Arginase From Leishmania Mexicana and Implications For the Inhibition of Polyamine Biosynthesis in Parasitic Infections. Arch.Biochem.Biophys. V. 535 163 2013.
ISSN: ISSN 0003-9861
PubMed: 23583962
DOI: 10.1016/J.ABB.2013.03.015