Magnesium in PDB 6s02: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State, PDB code: 6s02 was solved by I.Vakonakis, J.Day, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.51 / 1.87
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.115, 101.796, 103.310, 90.00, 90.00, 90.00
R / Rfree (%)	22.2 / 25.2

The binding sites of Magnesium atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State (pdb code 6s02). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State, PDB code: 6s02:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg451 b:49.1 occ:1.00 O1B A:ADP450 2.3 50.4 1.0 O A:HOH599 2.4 27.4 1.0 O A:TYR44 2.4 24.4 1.0 HA3 A:GLY41 2.8 31.8 1.0 OD2 A:ASP39 2.9 28.8 1.0 O A:HOH525 2.9 42.3 1.0 O3B A:ADP450 3.2 40.5 1.0 PB A:ADP450 3.2 41.8 1.0 O A:HOH538 3.5 45.3 1.0 C A:TYR44 3.5 25.1 1.0 O2A A:ADP450 3.6 31.8 1.0 HB2 A:TYR44 3.7 32.3 1.0 CA A:GLY41 3.7 26.5 1.0 CG A:ASP39 3.7 28.7 1.0 H A:TYR44 3.8 30.8 1.0 O1A A:ADP450 3.9 36.6 1.0 HA2 A:GLY41 3.9 31.8 1.0 PA A:ADP450 3.9 28.7 1.0 HA A:SER45 4.0 33.2 1.0 O3A A:ADP450 4.0 41.9 1.0 OD1 A:ASP39 4.0 30.0 1.0 O A:HOH585 4.1 42.5 1.0 H A:GLY41 4.3 30.1 1.0 CA A:TYR44 4.3 26.1 1.0 CB A:TYR44 4.3 26.9 1.0 N A:TYR44 4.4 25.6 1.0 N A:GLY41 4.4 25.0 1.0 N A:SER45 4.5 27.8 1.0 HB3 A:TYR44 4.5 32.3 1.0 O2B A:ADP450 4.5 46.8 1.0 CA A:SER45 4.6 27.6 1.0 H A:THR42 4.7 31.8 1.0 C A:GLY41 4.7 26.4 1.0 O A:ASP397 4.7 24.0 1.0 HB2 A:ASP397 4.8 34.8 1.0 O A:HOH561 4.8 21.2 1.0 H A:THR43 4.9 29.4 1.0 HB3 A:ASP39 4.9 31.3 1.0 HB2 A:CYS46 4.9 31.6 1.0 N A:THR42 5.0 26.4 1.0 CB A:ASP39 5.0 26.1 1.0

Magnesium binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Adp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg452 b:59.9 occ:1.00 OD2 B:ASP39 2.8 34.3 1.0 O3B B:ADP450 3.0 48.1 1.0 HA3 B:GLY41 3.0 37.0 1.0 O2B B:ADP450 3.1 48.8 1.0 O B:HOH533 3.1 36.8 1.0 O B:TYR44 3.1 31.1 1.0 PB B:ADP450 3.4 48.4 1.0 O1A B:ADP450 3.5 50.2 1.0 CG B:ASP39 3.6 34.0 1.0 OD1 B:ASP39 3.8 33.8 1.0 HA2 B:GLY41 3.8 37.0 1.0 CA B:GLY41 3.9 30.8 1.0 PA B:ADP450 3.9 45.3 1.0 O3A B:ADP450 4.0 50.4 1.0 O2A B:ADP450 4.0 46.3 1.0 H B:TYR44 4.2 39.9 1.0 HB2 B:TYR44 4.2 42.9 1.0 O B:HOH586 4.2 36.5 1.0 C B:TYR44 4.3 31.7 1.0 H B:THR42 4.4 38.8 1.0 HA B:SER45 4.5 34.1 1.0 N B:GLY41 4.7 28.6 1.0 H B:GLY41 4.7 34.4 1.0 HB3 B:ASP39 4.8 38.2 1.0 C B:GLY41 4.8 30.2 1.0 O B:HOH569 4.8 32.4 1.0 CB B:ASP39 4.9 31.8 1.0 O B:ASP397 4.9 36.8 1.0 HA B:ASP397 4.9 47.1 1.0 N B:THR42 4.9 32.3 1.0 O1B B:ADP450 4.9 51.3 1.0 N B:TYR44 4.9 33.2 1.0 CB B:TYR44 5.0 35.7 1.0 CA B:TYR44 5.0 33.0 1.0

J.Day, A.Passecker, H.P.Beck, I.Vakonakis. Theplasmodium FALCIPARUMHSP70-X Chaperone Assists the Heat Stress Response of the Malaria Parasite. Faseb J. 1741R 2019.
ISSN: ESSN 1530-6860
PubMed: 31690116
DOI: 10.1096/FJ.201901741R