Magnesium in PDB 4hql: Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein

The structure of Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein, PDB code: 4hql was solved by G.Song, A.C.Koksal, C.Lu, T.A.Springer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.72 / 2.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.601, 97.963, 159.254, 90.00, 90.00, 90.00
R / Rfree (%)	16.3 / 20.4

The structure of Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein (pdb code 4hql). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein, PDB code: 4hql:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein


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 Magnesium-Loaded Plasmodium Vivax Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:19.7 occ:1.00 O A:HOH403 2.0 20.4 1.0 O A:HOH401 2.1 20.4 1.0 OG A:SER52 2.1 17.5 1.0 O A:HOH402 2.1 17.1 1.0 OG A:SER54 2.1 20.2 1.0 OG1 A:THR127 2.2 19.5 1.0 CB A:SER52 3.1 18.0 1.0 CB A:SER54 3.2 22.6 1.0 CB A:THR127 3.4 22.6 1.0 CG2 A:THR127 3.6 20.4 1.0 O A:VAL160 3.8 23.5 1.0 N A:SER54 3.9 28.0 1.0 O A:HOH415 4.1 20.8 1.0 OD1 A:ASP50 4.1 23.3 1.0 OD2 A:ASP158 4.1 25.8 1.0 CA A:SER54 4.1 23.7 1.0 OD1 A:ASP158 4.2 20.5 1.0 OD2 A:ASP50 4.2 21.0 1.0 O A:HOH408 4.2 23.1 1.0 CA A:SER52 4.3 20.8 1.0 C A:SER52 4.4 18.3 1.0 CA A:THR127 4.5 17.7 1.0 CG A:ASP158 4.6 25.6 1.0 N A:GLY53 4.6 19.4 1.0 CG A:ASP50 4.6 21.5 1.0 N A:THR127 4.8 21.6 1.0 C A:VAL160 4.8 23.8 1.0 C A:THR126 4.9 27.1 1.0 O A:GLY125 4.9 21.4 1.0 O A:SER52 4.9 20.0 1.0 O A:THR126 4.9 20.9 1.0 C A:SER54 4.9 24.0 1.0 N A:ILE55 4.9 22.0 1.0 CB A:VAL160 5.0 28.7 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Magnesium-Loaded Plasmodium Vivax Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg301 b:34.9 occ:1.00 O B:HOH401 2.1 26.1 1.0 O B:HOH402 2.1 34.9 1.0 OG B:SER52 2.1 38.1 1.0 OG1 B:THR127 2.1 35.2 1.0 O B:HOH597 2.1 30.4 1.0 OG B:SER54 2.2 37.8 1.0 CB B:SER52 3.2 40.6 1.0 CB B:SER54 3.2 41.0 1.0 O B:HOH599 3.2 32.7 1.0 CB B:THR127 3.4 36.2 1.0 CG2 B:THR127 3.7 30.7 1.0 N B:SER54 3.9 44.4 1.0 O B:VAL160 3.9 32.7 1.0 CA B:SER54 4.1 43.8 1.0 OD2 B:ASP158 4.1 36.2 1.0 OD1 B:ASP158 4.1 31.9 1.0 OD1 B:ASP50 4.2 38.4 1.0 OD2 B:ASP50 4.3 42.9 1.0 O B:HOH633 4.3 43.4 1.0 CA B:SER52 4.4 40.4 1.0 O B:HOH479 4.4 44.9 1.0 CA B:THR127 4.5 40.7 1.0 C B:SER52 4.5 42.6 1.0 CG B:ASP158 4.6 34.2 1.0 N B:GLY53 4.7 45.2 1.0 CG B:ASP50 4.7 39.1 1.0 N B:THR127 4.8 43.5 1.0 N B:ILE55 4.9 43.7 1.0 O B:SER52 4.9 42.7 1.0 C B:SER54 4.9 45.7 1.0 C B:THR126 4.9 43.1 1.0 C B:VAL160 4.9 36.9 1.0 O B:THR126 5.0 46.0 1.0

G.Song, A.C.Koksal, C.Lu, T.A.Springer. Shape Change in the Receptor For Gliding Motility in Plasmodium Sporozoites. Proc.Natl.Acad.Sci.Usa V. 109 21420 2012.
ISSN: ISSN 0027-8424
PubMed: 23236185
DOI: 10.1073/PNAS.1218581109