Magnesium in PDB 3t8v: A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases

The structure of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases, PDB code: 3t8v was solved by S.Mcgowan, M.Klemba, D.C.Greebaum, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.04 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	75.542, 108.821, 118.274, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 19.8

The structure of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Magnesium atom in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases (pdb code 3t8v). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases, PDB code: 3t8v:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1091 b:39.9 occ:1.00 O A:HOH1186 2.0 21.4 1.0 O A:HOH1187 2.1 25.0 1.0 O A:HOH1185 2.2 30.6 1.0 O A:HOH1184 2.3 25.5 1.0 O A:HOH1188 2.3 55.4 1.0 OE2 A:GLU957 3.6 18.1 1.0 O A:HOH1465 3.9 28.3 1.0 O A:HOH1254 4.0 43.8 1.0 ND2 A:ASN992 4.2 17.7 1.0 O A:HOH1128 4.3 23.2 1.0 OD2 A:ASP995 4.3 14.7 1.0 CD A:GLU957 4.4 20.4 1.0 O A:HOH1097 4.5 28.0 1.0 CG A:GLU957 4.6 20.2 1.0 O A:HOH7 4.6 15.3 1.0 O A:HOH1890 4.7 50.3 1.0 CE A:LYS311 4.8 22.4 1.0

Magnesium binding site 2 out of 3 in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg2 b:23.8 occ:1.00 O A:GLY250 2.0 17.0 1.0 O A:HOH1176 2.0 21.4 1.0 O A:HOH1175 2.0 28.6 1.0 O A:HOH1177 2.1 19.0 1.0 O A:HOH1174 2.1 15.0 1.0 O A:HOH130 2.2 17.9 1.0 C A:GLY250 3.1 18.1 1.0 CA A:GLY250 3.8 14.7 1.0 O A:HOH1120 4.2 26.0 1.0 O A:HOH1118 4.2 14.2 1.0 O A:HOH1119 4.2 29.9 1.0 N A:LEU251 4.2 15.0 1.0 ND1 A:HIS297 4.3 19.9 1.0 O A:ILE295 4.5 16.5 1.0 CA A:LEU251 4.6 13.4 1.0 O A:HOH1178 4.6 13.1 1.0 CA A:ILE296 4.8 11.9 1.0 C A:LEU251 4.9 18.4 1.0 N A:LYS252 4.9 15.0 1.0 CE1 A:HIS297 4.9 20.1 1.0

Magnesium binding site 3 out of 3 in the A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of A Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg3 b:34.9 occ:1.00 O A:HOH1182 2.0 26.3 1.0 O A:HOH1183 2.1 34.4 1.0 O A:HOH1181 2.2 17.9 1.0 O A:HOH1220 2.3 33.1 1.0 O A:HOH1814 2.4 35.5 1.0 O A:HOH1382 2.4 28.1 1.0 OD1 A:ASP438 4.0 20.9 1.0 O A:HOH1495 4.0 21.8 1.0 OD2 A:ASP438 4.3 26.0 1.0 OH A:TYR399 4.4 20.4 1.0 OE1 A:GLU437 4.4 16.0 1.0 CB A:ALA434 4.4 14.2 1.0 CG A:ASP438 4.6 19.4 1.0 CD A:LYS402 4.7 24.0 1.0 CA A:ALA434 4.9 13.6 1.0

M.B.Harbut, G.Velmourougane, S.Dalal, G.Reiss, J.C.Whisstock, O.Onder, D.Brisson, S.Mcgowan, M.Klemba, D.C.Greenbaum. Bestatin-Based Chemical Biology Strategy Reveals Distinct Roles For Malaria M1- and M17-Family Aminopeptidases Proc.Natl.Acad.Sci.Usa V. 108 E526 2011.
ISSN: ISSN 0027-8424
PubMed: 21844374
DOI: 10.1073/PNAS.1105601108