Magnesium in PDB 6jwz: Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp, PDB code: 6jwz was solved by P.Chitnumsub, A.Jaruwat, Y.Yuthavong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.57 / 2.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	100.198, 136.826, 138.690, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 25.5

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp (pdb code 6jwz). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp, PDB code: 6jwz:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg804 b:28.1 occ:1.00 OD1 A:ASP210 2.2 50.6 1.0 OD2 A:ASP208 2.5 46.7 1.0 O2P A:AMP803 2.6 81.2 1.0 OD1 A:ASP208 2.8 42.5 1.0 CG A:ASP210 2.9 45.9 1.0 CG A:ASP208 3.0 42.6 1.0 O3P A:AMP803 3.0 81.3 1.0 OD2 A:ASP210 3.0 51.6 1.0 P A:AMP803 3.3 81.9 1.0 C5' A:AMP803 3.8 64.7 1.0 O5' A:AMP803 4.0 72.3 1.0 CB A:ASP210 4.3 39.1 1.0 NE2 A:HIS320 4.3 40.9 1.0 CB A:ASP208 4.5 40.0 1.0 O1P A:AMP803 4.7 79.1 1.0 C2 A:AMP803 4.8 45.4 1.0 N3 A:AMP803 4.8 46.1 1.0 O A:ILE209 5.0 36.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613S Triple Mutant with Sdx-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg804 b:65.1 occ:1.00 O1P B:AMP803 1.9 0.0 1.0 OD2 B:ASP210 2.2 62.3 1.0 OD2 B:ASP208 2.6 59.3 1.0 OD1 B:ASP208 2.7 65.7 1.0 P B:AMP803 2.8 0.0 1.0 CG B:ASP210 2.9 59.4 1.0 O3P B:AMP803 2.9 0.0 1.0 CG B:ASP208 3.0 65.6 1.0 C5' B:AMP803 3.2 94.5 1.0 O5' B:AMP803 3.2 0.4 1.0 OD1 B:ASP210 3.2 63.0 1.0 CB B:ASP210 4.0 51.8 1.0 O2P B:AMP803 4.2 0.0 1.0 N3 B:AMP803 4.4 76.0 1.0 CA B:ASP210 4.4 48.8 1.0 C2 B:AMP803 4.5 77.7 1.0 CB B:ASP208 4.5 64.0 1.0 O B:HOH902 4.6 60.0 1.0 N B:ASP210 4.7 48.6 1.0 C4' B:AMP803 4.7 89.8 1.0 NE2 B:HIS320 4.7 66.4 1.0 O B:ILE209 4.7 53.0 1.0 C B:ILE209 4.8 47.9 1.0

P.Chitnumsub, A.Jaruwat, Y.Talawanich, K.Noytanom, B.Liwnaree, S.Poen, Y.Yuthavong. The Structure of Plasmodium Falciparum Hydroxymethyldihydropterin Pyrophosphokinase-Dihydropteroate Synthase Reveals the Basis of Sulfa Resistance. Febs J. 2019.
ISSN: ISSN 1742-464X
PubMed: 31883412
DOI: 10.1111/FEBS.15196