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

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G with Sdx- Dhp, PDB code: 6jwy 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)	28.95 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	98.433, 137.153, 137.738, 90.00, 90.00, 90.00
R / Rfree (%)	20.9 / 22.1

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G with Sdx- 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 Sdx- Dhp (pdb code 6jwy). 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 A437G with Sdx- Dhp, PDB code: 6jwy:

Calcium binding site 1 out of 1 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps A437G 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 A437G with Sdx- Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca806 b:25.5 occ:1.00 OE2 A:GLU99 2.2 36.9 1.0 O A:GLU42 2.4 18.8 1.0 OE1 A:GLU42 2.5 24.8 1.0 O A:GLY46 2.5 25.4 1.0 OE1 A:GLU99 2.6 30.9 1.0 CD A:GLU99 2.7 32.4 1.0 O A:HOH1037 2.7 26.0 1.0 C A:GLU42 3.5 22.7 1.0 C A:GLY46 3.5 23.8 1.0 CD A:GLU42 3.7 24.9 1.0 O A:HOH1000 3.9 43.4 1.0 CA A:GLU42 4.0 23.3 1.0 CG A:GLU99 4.1 31.7 1.0 O A:HOH975 4.2 30.3 1.0 CB A:GLU42 4.3 24.3 1.0 N A:LYS47 4.3 22.0 1.0 CA A:LYS47 4.4 20.7 1.0 CA A:GLY46 4.4 22.7 1.0 CA A:GLU99 4.4 30.3 1.0 CG A:GLU42 4.5 24.5 1.0 OE2 A:GLU42 4.6 23.0 1.0 N A:LYS43 4.6 23.2 1.0 CB A:GLU99 4.7 27.9 1.0 N A:GLY46 4.8 26.2 1.0 O A:GLU98 4.9 30.5 1.0 CA A:LYS43 5.0 24.6 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