Calcium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Sdx-Dhp, PDB code: 6jwx:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca807 b:23.4 occ:1.00 O A:GLU42 2.3 15.3 1.0 O A:HOH1041 2.3 28.0 1.0 OE2 A:GLU99 2.5 25.4 1.0 OE1 A:GLU42 2.5 17.0 1.0 OE1 A:GLU99 2.5 23.6 1.0 O A:GLY46 2.7 13.4 1.0 CD A:GLU99 2.8 25.3 1.0 O A:HOH1056 2.9 20.1 1.0 C A:GLU42 3.4 15.9 1.0 C A:GLY46 3.6 12.5 1.0 CD A:GLU42 3.7 17.0 1.0 CA A:GLU42 3.9 15.8 1.0 CB A:GLU42 4.1 16.1 1.0 O A:HOH943 4.2 19.8 1.0 CG A:GLU99 4.3 25.2 1.0 N A:LYS47 4.3 11.8 1.0 CA A:LYS47 4.3 11.4 1.0 CA A:GLY46 4.4 12.8 1.0 N A:LYS43 4.5 15.8 1.0 CG A:GLU42 4.5 16.6 1.0 CA A:GLU99 4.5 23.6 1.0 OE2 A:GLU42 4.6 16.6 1.0 N A:GLY46 4.8 13.8 1.0 CB A:GLU99 4.8 23.8 1.0 CA A:LYS43 4.9 16.3 1.0 CB A:LYS47 4.9 11.4 1.0 O A:GLU98 5.0 27.5 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca807 b:54.5 occ:1.00 O B:GLY46 2.5 46.1 1.0 OE1 B:GLU99 2.5 73.5 1.0 O B:GLU42 2.5 52.0 1.0 OE2 B:GLU99 2.8 74.9 1.0 OE1 B:GLU42 2.8 57.5 1.0 CD B:GLU99 2.9 79.3 1.0 C B:GLU42 3.4 52.8 1.0 C B:GLY46 3.7 44.8 1.0 CD B:GLU42 3.9 59.3 1.0 CA B:GLU42 4.0 53.2 1.0 CB B:GLU42 4.2 54.1 1.0 CG B:GLU99 4.3 82.4 1.0 N B:LYS43 4.5 53.8 1.0 N B:LYS47 4.5 39.5 1.0 CA B:GLY46 4.5 46.2 1.0 CA B:LYS47 4.6 36.9 1.0 CG B:GLU42 4.7 58.8 1.0 OE2 B:GLU42 4.7 59.3 1.0 CA B:GLU99 4.7 84.6 1.0 CB B:GLU99 4.7 84.4 1.0 CA B:LYS43 4.8 53.0 1.0 N B:GLY46 4.9 49.2 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