Magnesium in PDB 6rzq: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Anp-Pnp Bound State

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Anp-Pnp Bound State, PDB code: 6rzq 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)	37.47 / 1.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.290, 102.710, 103.770, 90.00, 90.00, 90.00
R / Rfree (%)	19.2 / 22.4

The binding sites of Magnesium atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Anp-Pnp Bound State (pdb code 6rzq). 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 - Anp-Pnp Bound State, PDB code: 6rzq:
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 - Anp-Pnp 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 - Anp-Pnp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:47.5 occ:1.00 O3G A:ANP502 2.2 42.2 1.0 O A:HOH603 2.5 39.1 1.0 O A:HOH737 2.8 43.2 1.0 O A:HOH676 3.1 35.7 1.0 NZ A:LYS100 3.2 34.1 1.0 PG A:ANP502 3.3 34.0 1.0 OG1 A:THR42 3.4 31.4 1.0 O A:HOH687 3.5 38.9 1.0 OG1 A:THR234 3.5 38.3 1.0 O1G A:ANP502 3.6 34.7 1.0 OE1 A:GLU205 3.8 33.9 1.0 N3B A:ANP502 3.9 31.3 1.0 CE A:LYS100 4.0 33.1 1.0 N A:THR42 4.0 33.4 1.0 OE2 A:GLU205 4.3 33.1 1.0 CB A:THR42 4.4 33.4 1.0 CD A:LYS100 4.4 32.1 1.0 CD A:GLU205 4.4 34.5 1.0 O2G A:ANP502 4.6 34.2 1.0 CG A:PRO177 4.6 31.6 1.0 O A:HOH666 4.7 43.0 1.0 CB A:THR234 4.7 36.8 1.0 O A:HOH620 4.7 42.5 1.0 CG2 A:THR234 4.7 33.5 1.0 CA A:GLY41 4.7 32.5 1.0 PB A:ANP502 4.8 33.3 1.0 CA A:THR42 4.8 31.0 1.0 OD2 A:ASP236 4.8 41.6 1.0 C A:GLY41 4.8 33.5 1.0 O2B A:ANP502 5.0 33.8 1.0

Magnesium binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain - Anp-Pnp 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 - Anp-Pnp Bound State within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg501 b:58.5 occ:1.00 O3G B:ANP502 2.1 51.1 1.0 O B:HOH695 2.4 58.2 1.0 O B:HOH615 3.2 51.1 1.0 PG B:ANP502 3.3 49.3 1.0 NZ B:LYS100 3.3 44.8 1.0 OG1 B:THR234 3.5 47.4 1.0 O B:HOH631 3.5 43.6 1.0 OG1 B:THR42 3.5 41.6 1.0 OE1 B:GLU205 3.7 43.2 1.0 O1G B:ANP502 3.7 56.7 1.0 N3B B:ANP502 3.9 49.6 1.0 N B:THR42 4.1 36.8 1.0 CE B:LYS100 4.2 41.7 1.0 OE2 B:GLU205 4.3 43.2 1.0 CD B:GLU205 4.4 42.0 1.0 O B:HOH652 4.4 57.4 1.0 O B:HOH714 4.4 59.4 1.0 CB B:THR42 4.5 38.6 1.0 O2G B:ANP502 4.5 49.0 1.0 OD2 B:ASP236 4.6 60.5 1.0 CD B:LYS100 4.6 41.3 1.0 CG B:PRO177 4.7 44.3 1.0 CB B:THR234 4.7 48.5 1.0 CA B:GLY41 4.8 36.8 1.0 CG2 B:THR234 4.8 52.4 1.0 PB B:ANP502 4.8 43.3 1.0 O B:HOH638 4.9 54.1 1.0 O B:HOH610 4.9 58.4 1.0 O1B B:ANP502 4.9 40.7 1.0 CA B:THR42 4.9 35.1 1.0 C B:GLY41 4.9 37.3 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