Magnesium in PDB 6i4e: Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State

The structure of Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State, PDB code: 6i4e was solved by E.-P.Kumpula, A.J.Lopez, L.Tajedin, H.Han, I.Kursula, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 1.22
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	68.520, 71.270, 109.980, 90.00, 90.00, 90.00
R / Rfree (%)	13.6 / 15.7

The structure of Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Magnesium atom in the Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State (pdb code 6i4e). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State, PDB code: 6i4e:

Magnesium binding site 1 out of 1 in the Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Plasmodium Falciparum Actin I in the Mg-Adp State within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:10.9 occ:1.00 O3B A:ADP401 2.0 10.9 1.0 O A:HOH587 2.1 12.0 1.0 O A:HOH543 2.1 11.8 1.0 O A:HOH547 2.1 13.3 1.0 O A:HOH612 2.1 12.7 1.0 O A:HOH562 2.1 13.0 1.0 PB A:ADP401 3.3 11.2 1.0 HZ2 A:LYS19 3.4 16.9 1.0 O1B A:ADP401 3.6 11.6 1.0 O A:HOH641 3.8 11.3 0.5 HA2 A:GLY14 3.8 17.1 0.1 HA2 A:GLY14 3.8 16.7 0.9 O A:HOH545 4.0 20.9 0.6 O A:HOH560 4.0 20.5 0.7 O A:HOH641 4.1 23.6 0.5 O1A A:ADP401 4.1 12.5 1.0 HG21 A:VAL340 4.1 13.4 1.0 O3A A:ADP401 4.1 11.2 1.0 OD1 A:ASP155 4.1 13.9 0.2 O A:HOH560 4.1 10.4 0.3 O A:HOH609 4.2 14.3 1.0 HA3 A:GLY157 4.2 14.4 1.0 OD2 A:ASP12 4.2 8.8 0.3 NZ A:LYS19 4.3 14.1 1.0 OD1 A:ASP155 4.3 11.2 0.6 OD2 A:ASP155 4.3 10.2 0.6 OE1 A:GLN138 4.3 13.8 1.0 OD1 A:ASP12 4.3 12.6 0.7 OD2 A:ASP12 4.4 12.7 0.7 HA3 A:GLY14 4.4 16.7 0.9 OD2 A:ASP155 4.5 14.4 0.2 H A:SER15 4.5 16.4 0.1 H A:SER15 4.5 16.4 0.9 HZ3 A:LYS19 4.5 16.9 1.0 O2B A:ADP401 4.5 12.6 1.0 PA A:ADP401 4.6 12.4 1.0 CA A:GLY14 4.6 13.9 0.9 HA3 A:GLY14 4.6 17.1 0.1 CA A:GLY14 4.6 14.2 0.1 OD1 A:ASP12 4.6 9.0 0.3 CG A:ASP155 4.7 13.8 0.2 CD A:GLN138 4.7 12.2 1.0 HE3 A:LYS19 4.7 17.6 1.0 CG A:ASP155 4.8 10.8 0.6 CG A:ASP12 4.8 12.3 0.7 HZ1 A:LYS19 4.8 16.9 1.0 HB3 A:GLN138 4.8 13.8 1.0 HG2 A:GLN138 4.8 13.8 1.0 CG A:ASP12 4.8 8.7 0.3 HA2 A:GLY157 4.9 14.4 1.0 CG2 A:VAL340 4.9 11.2 1.0 HG23 A:VAL340 4.9 13.4 1.0 HE2 A:LYS19 4.9 17.6 1.0 CE A:LYS19 5.0 14.7 1.0 CA A:GLY157 5.0 12.0 1.0 HG11 A:VAL340 5.0 13.6 1.0

E.P.Kumpula, A.J.Lopez, L.Tajedin, H.Han, I.Kursula. Atomic View Into Plasmodium Actin Polymerization, Atp Hydrolysis, and Fragmentation. Plos Biol. V. 17 00315 2019.
ISSN: ESSN 1545-7885
PubMed: 31199804
DOI: 10.1371/JOURNAL.PBIO.3000315