Calcium 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:

Magnesium

(Mg)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps Wild Type with Stz-Dhp, PDB code: 6jwu:
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 Stz-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 Stz-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca806 b:18.2 occ:1.00 O A:GLU42 2.2 13.5 1.0 O A:HOH1027 2.3 14.7 1.0 OE2 A:GLU99 2.3 31.2 1.0 O A:HOH1055 2.3 5.9 1.0 O A:GLY46 2.5 13.5 1.0 OE1 A:GLU99 2.5 33.4 1.0 OE1 A:GLU42 2.6 15.6 1.0 CD A:GLU99 2.7 31.0 1.0 C A:GLU42 3.2 14.4 1.0 C A:GLY46 3.5 12.6 1.0 CA A:GLU42 3.7 15.3 1.0 CD A:GLU42 3.7 16.1 1.0 CB A:GLU42 4.0 15.7 1.0 CG A:GLU99 4.2 29.9 1.0 CA A:LYS47 4.2 12.3 1.0 N A:LYS47 4.2 12.3 1.0 N A:LYS43 4.4 14.2 1.0 CA A:GLY46 4.4 13.2 1.0 CG A:GLU42 4.4 16.0 1.0 O A:HOH1045 4.4 22.2 1.0 O A:HOH1078 4.4 26.5 1.0 O A:HOH930 4.6 16.6 1.0 CA A:GLU99 4.6 25.8 1.0 OE2 A:GLU42 4.7 15.6 1.0 CB A:LYS47 4.7 12.8 1.0 CB A:GLU99 4.8 26.8 1.0 CA A:LYS43 4.8 14.8 1.0 N A:GLY46 4.8 14.1 1.0 O A:GLU98 5.0 25.8 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca805 b:85.9 occ:1.00 OE1 B:GLU99 1.9 88.6 1.0 OE2 B:GLU99 1.9 80.9 1.0 O B:GLY46 2.1 55.3 1.0 CD B:GLU99 2.1 84.6 1.0 O B:GLU42 2.4 52.6 1.0 C B:GLY46 2.9 49.2 1.0 OE2 B:GLU42 3.0 50.1 1.0 CD B:GLU42 3.2 51.2 1.0 OE1 B:GLU42 3.3 48.0 1.0 C B:GLU42 3.4 52.0 1.0 CG B:GLU99 3.5 83.4 1.0 CA B:LYS47 3.5 43.0 1.0 N B:LYS47 3.6 45.5 1.0 CA B:GLU42 3.7 51.5 1.0 CA B:GLY46 3.8 50.6 1.0 CG B:GLU42 4.2 55.1 1.0 CB B:GLU42 4.2 53.6 1.0 CB B:LYS47 4.3 44.6 1.0 N B:GLY46 4.3 51.4 1.0 CB B:GLU99 4.5 91.1 1.0 N B:LYS43 4.6 53.4 1.0 CG B:LYS47 4.6 45.5 1.0 C B:LYS47 4.7 39.6 1.0 N B:ILE48 4.9 38.8 1.0 CA B:GLU99 4.9 92.6 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