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

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Stz-Dhp, PDB code: 6jwu 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)	32.66 / 2.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.152, 136.963, 137.112, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23.3

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Stz-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 Stz-Dhp (pdb code 6jwu). 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 Stz-Dhp, PDB code: 6jwu:
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 Stz-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 Stz-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg805 b:16.0 occ:1.00 O A:HOH987 2.2 35.5 1.0 OD1 A:ASP210 2.2 30.8 1.0 O A:HOH940 2.3 33.2 1.0 O3P A:AMP804 2.3 46.6 1.0 OD1 A:ASP208 2.5 29.0 1.0 OD2 A:ASP208 2.5 30.1 1.0 CG A:ASP208 2.8 27.2 1.0 OD2 A:ASP210 2.8 32.2 1.0 CG A:ASP210 2.9 28.3 1.0 O2P A:AMP804 3.0 49.6 1.0 P A:AMP804 3.1 53.0 1.0 O5' A:AMP804 3.8 49.0 1.0 O A:HOH952 4.0 27.1 1.0 O A:HOH974 4.3 32.4 1.0 CB A:ASP210 4.3 25.0 1.0 CB A:ASP208 4.4 26.7 1.0 C5' A:AMP804 4.4 43.5 1.0 O A:HOH917 4.4 30.7 1.0 O1P A:AMP804 4.5 50.3 1.0 O4 A:PH2802 4.5 59.5 1.0 O A:HOH1052 4.5 45.7 1.0 NE2 A:HIS320 4.6 19.0 1.0 C11 A:PH2802 4.9 61.9 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Stz-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 Stz-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg804 b:58.3 occ:1.00 OD2 B:ASP210 2.1 79.0 1.0 OD2 B:ASP208 2.3 49.5 1.0 O3P B:AMP803 2.5 94.4 1.0 OD1 B:ASP210 2.7 79.1 1.0 CG B:ASP210 2.7 74.0 1.0 O1P B:AMP803 2.8 91.1 1.0 OD1 B:ASP208 2.8 58.2 1.0 CG B:ASP208 2.8 52.8 1.0 O B:HOH913 3.0 57.6 1.0 P B:AMP803 3.1 93.3 1.0 C5' B:AMP803 3.9 77.8 1.0 O5' B:AMP803 3.9 84.3 1.0 CB B:ASP210 4.2 66.6 1.0 NE2 B:HIS320 4.2 52.1 1.0 CB B:ASP208 4.3 52.2 1.0 O B:HOH941 4.4 65.8 1.0 O2P B:AMP803 4.4 90.9 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