Magnesium in PDB 6jwq: Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type, PDB code: 6jwq 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 (°)	101.175, 137.224, 139.282, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 25.7

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type (pdb code 6jwq). 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, PDB code: 6jwq:
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


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 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg801 b:67.4 occ:1.00 O3A A:ATP802 1.8 0.0 1.0 O3B A:ATP802 1.9 0.0 1.0 PB A:ATP802 2.0 0.0 1.0 OD1 A:ASP208 2.2 69.8 1.0 OD1 A:ASP210 2.3 52.9 1.0 O2B A:ATP802 2.4 0.0 1.0 O A:HOH922 2.8 62.1 1.0 CG A:ASP208 2.9 66.2 1.0 OD2 A:ASP208 3.0 77.3 1.0 CG A:ASP210 3.1 53.6 1.0 OD2 A:ASP210 3.1 57.4 1.0 PA A:ATP802 3.4 1.0 1.0 O1B A:ATP802 3.4 0.0 1.0 PG A:ATP802 3.5 0.0 1.0 O2A A:ATP802 3.9 0.0 1.0 O2G A:ATP802 4.0 0.0 1.0 O5' A:ATP802 4.0 0.0 1.0 O3G A:ATP802 4.1 0.0 1.0 O1G A:ATP802 4.3 0.0 1.0 O1A A:ATP802 4.3 0.4 1.0 CB A:ASP208 4.4 59.9 1.0 O A:ILE209 4.4 58.0 1.0 CB A:ASP210 4.5 52.9 1.0 O A:HOH956 4.5 63.9 1.0 C A:ILE209 4.7 49.7 1.0 N A:ILE209 4.9 53.2 1.0 C A:ASP208 4.9 57.2 1.0 NZ A:LYS185 4.9 82.5 1.0 N3 A:ATP802 4.9 68.0 1.0 NE2 A:HIS320 4.9 53.9 1.0 CA A:ASP208 4.9 57.3 1.0 C2 A:ATP802 4.9 67.1 1.0 N A:ASP210 5.0 50.0 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type


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 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg802 b:64.6 occ:1.00 OD1 B:ASP210 2.3 66.2 1.0 O B:HOH932 2.3 71.8 1.0 OD2 B:ASP208 2.5 66.3 1.0 OD1 B:ASP208 2.7 76.9 1.0 O2P B:AMP801 2.7 0.2 1.0 CG B:ASP208 3.0 69.1 1.0 CG B:ASP210 3.1 63.5 1.0 OD2 B:ASP210 3.1 70.4 1.0 O1P B:AMP801 3.3 0.6 1.0 P B:AMP801 3.4 0.3 1.0 O5' B:AMP801 3.8 95.8 1.0 NE2 B:HIS320 4.5 64.4 1.0 CB B:ASP208 4.5 65.0 1.0 CB B:ASP210 4.5 57.5 1.0 O3P B:AMP801 4.9 0.8 1.0 C5' B:AMP801 4.9 86.6 1.0 N3 B:AMP801 4.9 73.5 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