Magnesium in PDB 8slo: Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673

The structure of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673, PDB code: 8slo was solved by S.M.Mcgowan, N.Drinkwater, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.58 / 1.55
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	76.398, 108.526, 117.548, 90, 90, 90
R / Rfree (%)	17.1 / 20.2

The structure of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Fluorine	(F)	3 atoms

The binding sites of Magnesium atom in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 (pdb code 8slo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673, PDB code: 8slo:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1103 b:26.3 occ:0.65 O A:HOH1276 2.0 24.7 1.0 O A:HOH2254 2.1 32.3 1.0 O A:HOH2413 2.2 29.5 1.0 O A:HOH1871 2.2 22.3 1.0 O A:HOH2401 2.3 31.4 1.0 O A:HOH1519 2.4 29.9 1.0 OE1 A:GLU957 3.6 19.4 1.0 O A:HOH1579 4.0 32.6 1.0 ND2 A:ASN992 4.1 20.6 1.0 O A:HOH1369 4.1 19.7 0.6 O A:HOH2206 4.1 42.6 1.0 O A:HOH2421 4.2 20.0 1.0 OD2 A:ASP995 4.3 19.1 1.0 O A:HOH2025 4.4 34.4 1.0 CD A:GLU957 4.4 20.0 1.0 O A:HOH1467 4.5 26.1 1.0 O A:HOH2005 4.5 18.3 1.0 CG A:GLU957 4.6 21.7 1.0 O A:HOH2491 4.9 48.7 1.0 O A:HOH2386 4.9 39.7 1.0

Magnesium binding site 2 out of 5 in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1104 b:21.4 occ:0.67 OE2 A:GLU526 2.0 20.1 1.0 O A:HOH1391 2.1 26.8 1.0 O A:HOH1999 2.1 29.5 1.0 O A:HOH1445 2.2 25.8 1.0 O A:HOH2236 2.2 38.1 1.0 O A:HOH1974 2.6 38.8 1.0 CD A:GLU526 3.1 24.7 1.0 OE1 A:GLU526 3.4 13.6 1.0 O A:HOH2207 3.6 30.5 1.0 O A:HOH1622 4.0 27.0 1.0 O A:HOH2291 4.0 38.0 1.0 OG1 A:THR492 4.0 18.8 1.0 O A:HOH2053 4.2 37.6 1.0 O A:HOH1495 4.2 25.8 1.0 CB A:THR492 4.3 18.8 1.0 O A:HOH1890 4.4 29.9 1.0 O A:HOH1359 4.4 31.3 1.0 CG A:GLU526 4.4 19.8 1.0 O A:HOH2417 4.5 33.6 1.0 O A:HOH1604 4.6 27.1 1.0 O A:HOH2175 4.8 27.9 1.0

Magnesium binding site 3 out of 5 in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1105 b:21.9 occ:0.65 O A:HOH1988 2.0 22.6 1.0 O A:GLY250 2.0 17.1 1.0 O A:HOH1711 2.2 26.0 1.0 O A:HOH1540 2.2 20.4 1.0 O A:HOH1885 2.2 24.0 1.0 C A:GLY250 3.1 20.7 1.0 CA A:GLY250 3.7 17.4 1.0 O A:HOH1582 4.1 17.9 1.0 O A:HOH1637 4.1 30.3 1.0 N A:LEU251 4.2 19.2 1.0 O A:HOH2373 4.2 32.3 1.0 O A:HOH2167 4.2 34.4 1.0 ND1 A:HIS297 4.4 18.2 1.0 CA A:LEU251 4.5 17.5 1.0 O A:ILE295 4.6 17.4 1.0 C A:LEU251 4.8 16.1 1.0 N A:LYS252 4.9 17.5 1.0 O A:HOH2153 4.9 22.1 1.0 CA A:ILE296 4.9 15.2 1.0 CE1 A:HIS297 5.0 20.4 1.0

Magnesium binding site 4 out of 5 in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1106 b:37.9 occ:1.00 O A:HOH2489 2.2 37.8 1.0 O A:HOH1989 2.2 32.8 1.0 O A:HOH1526 2.2 21.9 1.0 O A:HOH2374 2.3 34.5 1.0 O A:HOH1493 2.3 28.7 1.0 O A:HOH2188 2.4 37.1 1.0 OD1 A:ASP438 4.0 25.4 1.0 O A:HOH1435 4.2 22.6 1.0 OD2 A:ASP438 4.2 23.6 1.0 CB A:ALA434 4.3 18.5 1.0 OE1 A:GLU437 4.4 21.9 1.0 OH A:TYR399 4.5 21.3 1.0 CG A:ASP438 4.6 21.7 1.0 O A:HOH2144 4.7 35.4 1.0 CD A:LYS402 4.8 26.1 1.0 CA A:ALA434 5.0 19.0 1.0

Magnesium binding site 5 out of 5 in the Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Plasmodium Falciparum M1 Aminopeptidase Bound to Selective Inhibitor MIPS2673 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1107 b:25.5 occ:0.51 OD1 A:ASN1083 1.9 27.3 1.0 O A:HOH1759 2.2 28.3 1.0 O A:HOH1404 2.4 28.5 1.0 CG A:ASN1083 3.1 21.0 1.0 CA A:ASN1083 3.8 24.5 1.0 CB A:ASN1083 3.8 25.9 1.0 O A:HOH2059 4.1 28.8 1.0 ND2 A:ASN1083 4.1 31.4 1.0 CG A:GLU679 4.2 29.0 1.0 O A:ARG1080 4.3 19.0 1.0 CD A:GLU679 4.4 39.6 0.6 O A:PRO558 4.5 15.9 1.0 O A:HOH2191 4.7 35.0 1.0 CB A:PRO558 4.7 14.2 1.0 O A:HOH2224 4.7 40.1 1.0 N A:ASN1083 4.7 18.9 1.0 OE2 A:GLU679 4.7 34.8 0.7 C A:ASN1083 4.8 33.9 1.0 OE1 A:GLU679 4.9 37.6 0.8

C.Giannangelo, N.Drinkwater, R.Edgar, T.R.Malcolm, G.Siddiqui, P.J.Scammells, T.F.De Koning-Ward, S.Mcgowan, D.Creek. Chemoproteomics Validates Selective Targeting of Plasmodium M1 Alanyl Aminopeptidase As A Cross-Species Strategy to Treat Malaria Elife 2024.
ISSN: ESSN 2050-084X
DOI: 10.7554/ELIFE.92990.1