Calcium in PDB 6jww: Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613T Triple Mutant with Stz-Dhp

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613T Triple Mutant with Stz-Dhp, PDB code: 6jww 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 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.627, 136.122, 138.853, 90.00, 90.00, 90.00
R / Rfree (%)	20.5 / 23.4

The structure of Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613T Triple Mutant 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 S436F/A437G/A613T Triple Mutant with Stz-Dhp (pdb code 6jww). 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 S436F/A437G/A613T Triple Mutant with Stz-Dhp, PDB code: 6jww:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613T Triple Mutant 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 S436F/A437G/A613T Triple Mutant with Stz-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca807 b:32.5 occ:1.00 OE1 A:GLU99 2.1 33.1 1.0 O A:GLU42 2.3 20.1 1.0 OE2 A:GLU42 2.4 22.3 1.0 O A:GLY46 2.5 16.8 1.0 CD A:GLU99 2.6 30.4 1.0 OE2 A:GLU99 2.6 31.4 1.0 C A:GLY46 3.3 16.8 1.0 C A:GLU42 3.4 21.4 1.0 CD A:GLU42 3.5 22.1 1.0 O A:HOH1016 3.9 13.8 1.0 CG A:GLU99 3.9 28.2 1.0 CG A:GLU42 4.0 21.8 1.0 N A:LYS47 4.0 16.6 1.0 CA A:GLY46 4.0 17.2 1.0 CA A:LYS47 4.1 16.5 1.0 O A:HOH946 4.1 21.1 1.0 CA A:GLU42 4.1 21.3 1.0 O A:GLU98 4.4 29.8 1.0 N A:GLY46 4.4 18.2 1.0 N A:LYS43 4.5 21.8 1.0 OE1 A:GLU42 4.6 22.2 1.0 CB A:LYS47 4.6 16.8 1.0 CB A:GLU42 4.6 21.4 1.0 CA A:GLU99 4.7 25.7 1.0 CB A:GLU99 4.7 26.6 1.0 CA A:LYS43 4.8 22.4 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Plasmodium Falciparum Hppk-Dhps S436F/A437G/A613T Triple Mutant 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 S436F/A437G/A613T Triple Mutant with Stz-Dhp within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca806 b:50.8 occ:1.00 O B:GLY46 2.0 42.2 1.0 OE1 B:GLU99 2.1 66.6 1.0 OE2 B:GLU99 2.2 64.2 1.0 CD B:GLU99 2.4 65.7 1.0 OE2 B:GLU42 2.4 50.1 1.0 O B:GLU42 2.5 51.9 1.0 CD B:GLU42 3.2 50.0 1.0 C B:GLY46 3.2 42.0 1.0 C B:GLU42 3.3 50.8 1.0 CG B:GLU42 3.5 48.9 1.0 CA B:GLU42 3.9 49.1 1.0 CG B:GLU99 3.9 65.2 1.0 N B:LYS47 4.1 40.2 1.0 CA B:LYS47 4.1 38.8 1.0 CA B:GLY46 4.1 43.1 1.0 OE1 B:GLU42 4.2 53.7 1.0 CB B:GLU42 4.2 49.1 1.0 N B:LYS43 4.4 50.1 1.0 N B:GLY46 4.4 45.4 1.0 CB B:LYS47 4.7 38.1 1.0 CA B:LYS43 4.8 49.5 1.0 CG B:LYS47 4.8 39.2 1.0 CB B:GLU99 4.9 64.0 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