Calcium in PDB 6jwv: Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G with Stz- Dhp

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G with Stz- Dhp, PDB code: 6jwv 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 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.891, 136.715, 138.698, 90.00, 90.00, 90.00
R / Rfree (%)	20.6 / 25.7

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G with Stz- Dhp also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Calcium atom in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G with Stz- Dhp (pdb code 6jwv). 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 A437G with Stz- Dhp, PDB code: 6jwv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G 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 A437G with Stz- Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca806 b:19.5 occ:1.00 OE1 A:GLU99 2.2 27.9 1.0 O A:GLU42 2.2 17.7 1.0 O A:GLY46 2.5 15.4 1.0 O A:HOH1073 2.5 24.3 1.0 OE2 A:GLU42 2.5 18.1 1.0 O A:HOH993 2.7 24.1 1.0 CD A:GLU99 2.8 28.7 1.0 OE2 A:GLU99 2.8 28.8 1.0 C A:GLU42 3.4 18.2 1.0 C A:GLY46 3.4 15.0 1.0 CD A:GLU42 3.5 18.1 1.0 CG A:GLU42 3.9 17.4 1.0 CA A:GLU42 4.1 18.1 1.0 O A:HOH977 4.2 22.5 1.0 N A:LYS47 4.2 14.1 1.0 CG A:GLU99 4.3 28.5 1.0 CA A:GLY46 4.3 15.4 1.0 CA A:LYS47 4.3 13.3 1.0 N A:LYS43 4.5 18.6 1.0 CB A:GLU42 4.5 17.2 1.0 CA A:GLU99 4.6 28.9 1.0 N A:GLY46 4.6 16.6 1.0 OE1 A:GLU42 4.6 18.0 1.0 O A:GLU98 4.8 33.4 1.0 CB A:GLU99 4.8 28.7 1.0 CA A:LYS43 4.8 19.2 1.0 CB A:LYS47 4.9 13.1 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G 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 A437G with Stz- Dhp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca803 b:83.2 occ:1.00 O B:GLY46 2.3 63.9 1.0 OE2 B:GLU99 2.3 89.4 1.0 O B:GLU42 2.5 81.5 1.0 OE2 B:GLU42 2.8 96.3 1.0 CD B:GLU99 3.3 94.2 1.0 C B:GLY46 3.3 70.2 1.0 OE1 B:GLU99 3.6 87.4 1.0 C B:GLU42 3.7 83.5 1.0 CD B:GLU42 3.8 90.8 1.0 CG B:GLU42 4.1 88.0 1.0 CA B:GLY46 4.2 71.8 1.0 N B:LYS47 4.2 69.2 1.0 CA B:LYS47 4.3 62.7 1.0 CA B:GLU42 4.3 83.8 1.0 CG B:GLU99 4.6 97.5 1.0 CB B:LYS47 4.6 63.1 1.0 CG B:LYS47 4.6 62.6 1.0 N B:GLY46 4.6 77.7 1.0 CA B:GLU99 4.7 0.8 1.0 N B:LYS43 4.7 82.5 1.0 CB B:GLU42 4.8 87.5 1.0 OE1 B:GLU42 4.8 90.2 1.0 N B:ASN100 4.9 99.4 1.0 CB B:GLU99 5.0 99.4 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