Manganese in PDB 4hqn: Crystal Structure of Manganese-Loaded Plasmodium Vivax Trap Protein

The structure of Crystal Structure of Manganese-Loaded Plasmodium Vivax Trap Protein, PDB code: 4hqn 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)	39.88 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.586, 96.567, 159.521, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 21.2

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

Chlorine

(Cl)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of Crystal Structure of Manganese-Loaded Plasmodium Vivax Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:31.4 occ:1.00 OG A:SER54 2.1 30.5 1.0 O A:HOH403 2.1 31.2 1.0 O A:HOH402 2.2 33.7 1.0 O A:HOH401 2.2 25.3 1.0 OG1 A:THR127 2.2 30.9 1.0 OG A:SER52 2.2 31.2 1.0 CB A:SER54 3.2 25.7 1.0 CB A:SER52 3.2 28.8 1.0 CB A:THR127 3.4 32.1 1.0 CG2 A:THR127 3.6 30.0 1.0 O A:VAL160 3.7 28.8 1.0 N A:SER54 3.9 32.4 1.0 CA A:SER54 4.1 33.8 1.0 O A:HOH409 4.1 36.9 1.0 OD2 A:ASP158 4.1 36.2 1.0 OD1 A:ASP50 4.2 35.0 1.0 OD1 A:ASP158 4.2 33.6 1.0 OD2 A:ASP50 4.3 35.6 1.0 O A:HOH405 4.3 34.6 1.0 CA A:SER52 4.5 35.4 1.0 CA A:THR127 4.5 28.4 1.0 C A:SER52 4.5 32.5 1.0 CG A:ASP158 4.6 31.2 1.0 CG A:ASP50 4.7 27.8 1.0 N A:GLY53 4.7 35.8 1.0 N A:THR127 4.8 32.2 1.0 C A:THR126 4.8 39.5 1.0 O A:GLY125 4.8 26.9 1.0 C A:VAL160 4.8 31.4 1.0 C A:SER54 4.9 35.4 1.0 O A:THR126 4.9 34.4 1.0 O A:SER52 4.9 32.6 1.0 N A:ILE55 5.0 37.3 1.0 CB A:VAL160 5.0 30.2 1.0

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


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of Crystal Structure of Manganese-Loaded Plasmodium Vivax Trap Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn301 b:46.4 occ:1.00 OG B:SER52 2.2 52.4 1.0 OG B:SER54 2.2 48.2 1.0 O B:HOH403 2.2 37.6 1.0 OG1 B:THR127 2.2 45.6 1.0 O B:HOH402 2.2 52.4 1.0 O B:HOH401 2.2 50.8 1.0 O B:HOH493 3.2 45.2 1.0 CB B:SER52 3.2 54.2 1.0 CB B:SER54 3.2 51.9 1.0 CB B:THR127 3.4 43.3 1.0 CG2 B:THR127 3.6 40.2 1.0 O B:VAL160 3.8 44.6 1.0 N B:SER54 3.9 60.3 1.0 OD2 B:ASP158 4.0 48.9 1.0 OD1 B:ASP158 4.1 49.1 1.0 CA B:SER54 4.1 56.8 1.0 OD1 B:ASP50 4.2 56.9 1.0 OD2 B:ASP50 4.4 54.9 1.0 CA B:SER52 4.4 55.5 1.0 CG B:ASP158 4.5 44.7 1.0 C B:SER52 4.5 52.8 1.0 CA B:THR127 4.6 48.7 1.0 N B:GLY53 4.7 55.8 1.0 CG B:ASP50 4.7 55.9 1.0 C B:VAL160 4.8 47.3 1.0 O B:HOH462 4.8 60.3 1.0 C B:SER54 4.9 56.3 1.0 N B:ILE55 4.9 55.3 1.0 CB B:VAL160 4.9 47.4 1.0 O B:SER52 4.9 57.8 1.0 N B:THR127 4.9 51.2 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