Manganese in PDB 5hj9: Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhpe

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

The structure of Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhpe, PDB code: 5hj9 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)	36.53 / 1.28
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	89.092, 89.092, 113.600, 90.00, 90.00, 120.00
R / Rfree (%)	14.6 / 15.9

The binding sites of Manganese atom in the Crystal Structure of Leishmania Mexicana Arginase in Complex with Inhibitor Abhpe (pdb code 5hj9). 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 Abhpe, PDB code: 5hj9:
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 Abhpe


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 Abhpe within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn401 b:14.4 occ:1.00 OD2 A:ASP137 2.1 14.1 1.0 O9 A:X7A403 2.1 21.3 1.0 OD2 A:ASP243 2.2 15.8 1.0 OD2 A:ASP141 2.2 15.0 1.0 O8 A:X7A403 2.2 26.1 1.0 ND1 A:HIS114 2.3 14.5 1.0 B7 A:X7A403 2.8 22.5 1.0 H14 A:X7A403 2.9 25.6 1.0 H13 A:X7A403 2.9 31.3 1.0 HB2 A:HIS114 3.0 15.6 1.0 CG A:ASP137 3.1 13.1 1.0 CG A:ASP141 3.1 14.3 1.0 HB2 A:ASP243 3.1 16.1 1.0 CG A:HIS114 3.2 14.3 1.0 CG A:ASP243 3.2 15.3 1.0 MN A:MN402 3.3 15.5 1.0 CE1 A:HIS114 3.3 13.4 1.0 HB3 A:HIS114 3.4 15.6 1.0 OD1 A:ASP141 3.4 16.7 1.0 OD1 A:ASP137 3.4 12.8 1.0 CB A:HIS114 3.4 13.0 1.0 HE1 A:HIS114 3.5 16.0 1.0 HE1 A:TRP135 3.6 17.1 1.0 CB A:ASP243 3.6 13.4 1.0 O19 A:X7A403 3.8 24.4 1.0 HB3 A:ASP243 3.9 16.1 1.0 HG3 A:GLU288 4.0 24.7 1.0 H11 A:X7A403 4.0 30.1 1.0 HZ2 A:TRP135 4.1 16.5 1.0 C6 A:X7A403 4.1 25.1 1.0 HB2 A:HIS139 4.1 17.2 1.0 H15 A:X7A403 4.2 29.3 1.0 NE1 A:TRP135 4.3 14.3 1.0 OD1 A:ASP243 4.3 15.3 1.0 CD2 A:HIS114 4.4 15.0 1.0 CB A:ASP137 4.4 11.9 1.0 HB2 A:ASP137 4.4 14.3 1.0 NE2 A:HIS114 4.4 13.7 1.0 CB A:ASP141 4.5 13.4 1.0 O A:HIS154 4.5 19.3 1.0 HB2 A:ASP141 4.6 16.1 1.0 HG21 A:VAL287 4.6 17.1 1.0 H12 A:X7A403 4.7 30.1 1.0 CZ2 A:TRP135 4.7 13.7 1.0 HB3 A:ASP141 4.8 16.1 1.0 OE2 A:GLU288 4.8 19.7 1.0 HG23 A:VAL287 4.8 17.1 1.0 CE2 A:TRP135 4.8 13.8 1.0 CG A:GLU288 4.8 20.6 1.0 HB3 A:ASP137 4.9 14.3 1.0 HG2 A:GLU288 4.9 24.7 1.0 CA A:HIS114 4.9 14.6 1.0 H10 A:X7A403 4.9 31.2 1.0 OD2 A:ASP245 4.9 19.0 1.0 CA A:ASP243 5.0 12.0 1.0

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


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 Abhpe within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn402 b:15.5 occ:1.00 H14 A:X7A403 1.4 25.6 1.0 O9 A:X7A403 2.0 21.3 1.0 OD1 A:ASP137 2.1 12.8 1.0 OD2 A:ASP245 2.1 19.0 1.0 ND1 A:HIS139 2.3 16.2 1.0 OD2 A:ASP243 2.5 15.8 1.0 OD1 A:ASP245 2.6 16.0 1.0 CG A:ASP245 2.7 15.6 1.0 O19 A:X7A403 2.9 24.4 1.0 B7 A:X7A403 3.0 22.5 1.0 CG A:ASP137 3.1 13.1 1.0 HB2 A:HIS139 3.1 17.2 1.0 CE1 A:HIS139 3.2 16.9 1.0 CG A:ASP243 3.2 15.3 1.0 MN A:MN401 3.3 14.4 1.0 HE1 A:HIS139 3.3 20.3 1.0 H A:HIS139 3.3 16.0 1.0 CG A:HIS139 3.4 15.8 1.0 OD2 A:ASP137 3.4 14.1 1.0 H A:ALA138 3.6 14.6 1.0 CB A:HIS139 3.7 14.4 1.0 H15 A:X7A403 3.7 29.3 1.0 H10 A:X7A403 3.7 31.2 1.0 OD1 A:ASP243 3.7 15.3 1.0 HB3 A:ALA138 3.9 15.7 1.0 N A:HIS139 3.9 13.4 1.0 O8 A:X7A403 4.0 26.1 1.0 HB3 A:ASP243 4.0 16.1 1.0 OG1 A:THR257 4.1 41.3 1.0 CB A:ASP243 4.2 13.4 1.0 N A:ALA138 4.2 12.2 1.0 CB A:ASP245 4.2 14.5 1.0 C6 A:X7A403 4.3 25.1 1.0 HA A:ASP137 4.3 14.3 1.0 C5 A:X7A403 4.3 26.0 1.0 NE2 A:HIS139 4.4 16.5 1.0 H9 A:X7A403 4.4 31.2 1.0 CB A:ASP137 4.4 11.9 1.0 HG1 A:THR257 4.4 49.6 1.0 HB2 A:ASP243 4.4 16.1 1.0 CA A:HIS139 4.4 14.1 1.0 CD2 A:HIS139 4.5 16.4 1.0 HB3 A:HIS139 4.5 17.2 1.0 OD1 A:ASP141 4.5 16.7 1.0 HB3 A:ASP245 4.5 17.4 1.0 HB2 A:ASP245 4.6 17.4 1.0 HG3 A:GLU288 4.6 24.7 1.0 CB A:ALA138 4.7 13.1 1.0 H11 A:X7A403 4.7 30.1 1.0 CA A:ASP137 4.8 11.9 1.0 C A:ALA138 4.8 13.5 1.0 O A:HOH575 4.8 30.5 1.0 OD2 A:ASP141 4.8 15.0 1.0 H13 A:X7A403 4.8 31.3 1.0 CA A:ALA138 4.8 12.2 1.0 H A:ASP245 4.8 17.7 1.0 HB3 A:ASP137 4.8 14.3 1.0 C A:ASP137 4.9 11.4 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