Manganese in PDB 5hja: Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhdp

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

The structure of Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhdp, PDB code: 5hja was solved by Y.Hai, D.W.Christianson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.78 / 1.65
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	88.934, 88.934, 113.867, 90.00, 90.00, 120.00
R / Rfree (%)	18.7 / 21.3

The structure of Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhdp also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Manganese atom in the Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhdp (pdb code 5hja). 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 Abhdp, PDB code: 5hja:
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 Abhdp


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 Abhdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:21.8 occ:1.00 OD2 A:ASP137 2.0 20.8 1.0 O01 A:XA2403 2.2 40.0 1.0 OD2 A:ASP141 2.2 19.8 1.0 O03 A:XA2403 2.2 40.5 1.0 ND1 A:HIS114 2.3 20.6 1.0 OD2 A:ASP243 2.3 20.4 1.0 B02 A:XA2403 2.7 27.8 1.0 CG A:ASP137 3.0 21.2 1.0 CG A:ASP141 3.1 20.1 1.0 CG A:HIS114 3.2 20.1 1.0 MN A:MN402 3.2 25.9 1.0 CE1 A:HIS114 3.3 20.7 1.0 CG A:ASP243 3.3 21.2 1.0 OD1 A:ASP141 3.4 20.8 1.0 OD1 A:ASP137 3.4 22.2 1.0 CB A:HIS114 3.4 21.5 1.0 CB A:ASP243 3.6 20.4 1.0 O04 A:XA2403 3.9 37.1 1.0 C05 A:XA2403 4.0 29.5 1.0 NE1 A:TRP135 4.2 19.4 1.0 CD2 A:HIS114 4.3 19.4 1.0 CB A:ASP137 4.3 20.0 1.0 NE2 A:HIS114 4.4 19.9 1.0 O A:HIS154 4.4 26.9 1.0 OD1 A:ASP243 4.4 22.6 1.0 CB A:ASP141 4.5 20.4 1.0 CZ2 A:TRP135 4.7 18.8 1.0 CE2 A:TRP135 4.8 19.0 1.0 CG A:GLU288 4.8 28.5 1.0 OD2 A:ASP245 4.8 27.3 1.0 OE2 A:GLU288 4.8 27.7 1.0 CA A:HIS114 4.9 22.3 1.0 C06 A:XA2403 5.0 28.7 1.0 CA A:ASP243 5.0 20.3 1.0

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


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 Abhdp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:25.9 occ:1.00 O03 A:XA2403 1.9 40.5 1.0 OD1 A:ASP137 2.1 22.2 1.0 OD2 A:ASP245 2.2 27.3 1.0 ND1 A:HIS139 2.3 25.6 1.0 OD2 A:ASP243 2.5 20.4 1.0 OD1 A:ASP245 2.7 28.3 1.0 CG A:ASP245 2.8 26.9 1.0 O04 A:XA2403 2.8 37.1 1.0 B02 A:XA2403 2.8 27.8 1.0 CG A:ASP137 3.1 21.2 1.0 CE1 A:HIS139 3.1 28.2 1.0 MN A:MN401 3.2 21.8 1.0 CG A:ASP243 3.3 21.2 1.0 OD2 A:ASP137 3.3 20.8 1.0 CG A:HIS139 3.4 24.5 1.0 CB A:HIS139 3.7 23.6 1.0 N A:HIS139 3.8 20.3 1.0 O01 A:XA2403 3.9 40.0 1.0 OD1 A:ASP243 3.9 22.6 1.0 N A:ALA138 4.1 18.6 1.0 OG1 A:THR257 4.1 63.0 1.0 C06 A:XA2403 4.2 28.7 1.0 CB A:ASP243 4.2 20.4 1.0 C05 A:XA2403 4.2 29.5 1.0 CB A:ASP245 4.3 24.7 1.0 NE2 A:HIS139 4.3 25.2 1.0 CA A:HIS139 4.4 21.7 1.0 CB A:ASP137 4.4 20.0 1.0 CD2 A:HIS139 4.4 24.6 1.0 OD1 A:ASP141 4.5 20.8 1.0 CB A:ALA138 4.6 19.4 1.0 C A:ALA138 4.7 19.0 1.0 CA A:ALA138 4.7 19.2 1.0 O A:HOH534 4.7 42.3 1.0 OD2 A:ASP141 4.8 19.8 1.0 CA A:ASP137 4.8 19.6 1.0 C A:ASP137 4.9 18.6 1.0

Y.Hai, D.W.Christianson. Crystal Structures of Leishmania Mexicana Arginase Complexed with Alpha , Alpha-Disubstituted Boronic Amino-Acid Inhibitors. Acta Crystallogr F Struct V. 72 300 2016BIOL Commun.
ISSN: ESSN 2053-230X
PubMed: 27050264
DOI: 10.1107/S2053230X16003630