Magnesium in PDB 7oog: Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823

Protein crystallography data

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823, PDB code: 7oog was solved by N.Mohamad, A.O'donoghue, A.L.Kantsadi, I.Vakonakis, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 72.19 / 2.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.997, 101.027, 103.184, 90, 90, 90
R / Rfree (%) 20.9 / 23.4

Other elements in 7oog:

The structure of Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823 also contains other interesting chemical elements:

Bromine (Br) 2 atoms
Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823 (pdb code 7oog). 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 in Complex with Ncl-00023823, PDB code: 7oog:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 7oog

Go back to Magnesium Binding Sites List in 7oog
Magnesium binding site 1 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823


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 in Complex with Ncl-00023823 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg515

b:84.0
occ:1.00
O A:HOH630 2.9 51.9 1.0
O1B A:AN2503 3.0 54.0 1.0
O A:HOH633 3.1 61.9 1.0
OD2 A:ASP39 3.2 65.0 1.0
O A:HOH603 3.3 63.0 1.0
O1A A:AN2503 3.4 52.1 1.0
O A:HOH631 4.0 47.4 1.0
CG A:ASP39 4.1 60.0 1.0
O A:HOH635 4.2 44.9 1.0
CG1 A:VAL368 4.3 53.8 1.0
O A:ASP397 4.3 49.8 1.0
PB A:AN2503 4.3 52.4 1.0
CA A:GLY369 4.3 46.6 1.0
O2 A:PO4512 4.4 113.2 1.0
CA A:ASP397 4.4 49.0 1.0
CG2 A:VAL400 4.4 48.8 1.0
O A:PRO396 4.4 46.5 1.0
N A:GLY369 4.4 47.2 1.0
OD1 A:ASP39 4.4 58.6 1.0
PA A:AN2503 4.5 51.0 1.0
OD1 A:ASP229 4.6 56.9 1.0
C A:ASP397 4.6 49.9 1.0
CB A:VAL400 4.6 49.1 1.0
OD2 A:ASP229 4.8 58.8 1.0
O3A A:AN2503 4.8 51.8 1.0
O2B A:AN2503 4.8 53.7 1.0

Magnesium binding site 2 out of 2 in 7oog

Go back to Magnesium Binding Sites List in 7oog
Magnesium binding site 2 out of 2 in the Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823


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 in Complex with Ncl-00023823 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg509

b:91.8
occ:1.00
O4 B:PO4508 2.5 131.1 1.0
OD1 B:ASP39 2.6 68.5 1.0
N3B B:AN2502 3.1 71.7 1.0
O B:HOH615 3.2 70.3 1.0
OD2 B:ASP39 3.2 68.8 1.0
CG B:ASP39 3.2 66.6 1.0
O B:HOH601 3.3 57.9 1.0
P B:PO4508 3.6 131.3 1.0
O2 B:PO4508 3.7 131.4 1.0
O B:HOH602 3.8 75.1 1.0
CD B:GLU205 3.9 84.0 1.0
OE1 B:GLU205 4.0 85.1 1.0
OE2 B:GLU205 4.0 84.6 1.0
CA B:GLY41 4.2 60.8 1.0
O1 B:PO4508 4.4 131.3 1.0
CG B:GLU205 4.5 78.9 1.0
PB B:AN2502 4.5 71.5 1.0
O2B B:AN2502 4.5 70.7 1.0
NZ B:LYS100 4.5 66.6 1.0
CG2 B:VAL400 4.7 62.3 1.0
CG1 B:VAL400 4.7 62.1 1.0
CB B:ASP39 4.7 59.9 1.0
CB B:VAL400 4.7 62.5 1.0
OD2 B:ASP229 4.8 96.1 1.0
O3 B:PO4508 4.8 131.4 1.0
N B:GLY41 4.8 59.6 1.0

Reference:

N.Mohamad, A.O'donoghue, A.L.Kantsadi, I.Vakonakis. Plasmodium Falciparum HSP70-X Chaperone Nucleotide Binding Domain in Complex with Ncl-00023823 To Be Published.
Page generated: Mon Jul 12 14:53:38 2021

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