Calcium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total only one binding site of Calcium was determined in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type, PDB code: 6jwq:

Calcium binding site 1 out of 1 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca 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:Ca803 b:63.8 occ:1.00 O A:GLU42 2.5 42.0 1.0 OE1 A:GLU42 2.5 55.2 1.0 OE1 A:GLU99 2.6 70.5 1.0 O A:GLY46 2.8 45.2 1.0 OE2 A:GLU99 2.9 66.5 1.0 CD A:GLU99 3.0 65.5 1.0 C A:GLY46 3.4 40.7 1.0 C A:GLU42 3.6 46.3 1.0 CD A:GLU42 3.7 53.6 1.0 N A:LYS47 4.0 38.1 1.0 CA A:GLU42 4.1 44.7 1.0 CA A:LYS47 4.1 37.1 1.0 CA A:GLY46 4.1 40.7 1.0 CB A:GLU42 4.3 45.6 1.0 CG A:GLU99 4.4 66.5 1.0 OE2 A:GLU42 4.6 49.6 1.0 CA A:GLU99 4.6 56.9 1.0 N A:GLY46 4.6 45.8 1.0 O A:GLU98 4.6 63.8 1.0 CG A:GLU42 4.6 51.5 1.0 CB A:LYS47 4.6 38.6 1.0 N A:LYS43 4.7 46.8 1.0 CB A:GLU99 4.9 60.9 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