Magnesium in PDB 6jwx: Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Sdx-Dhp

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Sdx-Dhp, PDB code: 6jwx 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)	30.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.106, 137.169, 137.144, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 23.1

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type 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 Wild Type with Sdx-Dhp (pdb code 6jwx). 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 Wild Type with Sdx-Dhp, PDB code: 6jwx:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type 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 Wild Type with Sdx-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg804 b:21.2 occ:1.00 O2P A:AMP803 2.2 39.1 1.0 O A:HOH951 2.3 40.9 1.0 OD1 A:ASP210 2.4 30.1 1.0 O A:HOH993 2.5 31.9 1.0 OD1 A:ASP208 2.6 32.6 1.0 OD2 A:ASP208 2.7 35.1 1.0 OD2 A:ASP210 2.8 27.1 1.0 CG A:ASP210 3.0 27.1 1.0 CG A:ASP208 3.0 30.5 1.0 O1P A:AMP803 3.1 37.6 1.0 P A:AMP803 3.1 41.3 1.0 O A:HOH1037 3.7 52.6 1.0 O A:HOH986 3.9 34.8 1.0 O5' A:AMP803 3.9 36.9 1.0 O4 A:PH2802 4.2 59.6 1.0 O A:HOH1013 4.4 38.2 1.0 O3P A:AMP803 4.4 39.1 1.0 O A:HOH1040 4.4 48.7 1.0 C5' A:AMP803 4.5 34.7 1.0 CB A:ASP210 4.5 23.4 1.0 CB A:ASP208 4.6 28.4 1.0 NE2 A:HIS320 4.7 18.6 1.0 C11 A:PH2802 4.8 58.8 1.0 O A:HOH963 4.8 29.8 1.0 O A:HOH1081 5.0 55.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type 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 Wild Type with Sdx-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg803 b:43.2 occ:1.00 O2P B:AMP802 2.0 53.7 1.0 OD2 B:ASP208 2.3 52.1 1.0 OD1 B:ASP210 2.5 56.6 1.0 O3P B:AMP802 2.7 49.7 1.0 O B:HOH929 2.8 47.9 1.0 OD2 B:ASP210 2.8 58.3 1.0 P B:AMP802 2.8 52.4 1.0 O B:HOH912 2.9 64.6 1.0 CG B:ASP210 3.0 56.9 1.0 CG B:ASP208 3.0 56.1 1.0 OD1 B:ASP208 3.1 60.5 1.0 O5' B:AMP802 3.6 48.7 1.0 C5' B:AMP802 4.0 48.3 1.0 O1P B:AMP802 4.2 51.6 1.0 CB B:ASP208 4.5 54.4 1.0 CB B:ASP210 4.5 55.0 1.0 NE2 B:HIS320 4.6 54.3 1.0 O B:HOH951 4.9 37.0 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