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

Protein crystallography data

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

Other elements in 4hqn:

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

Chlorine (Cl) 2 atoms

Manganese Binding Sites:

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 4hqn

Go back to Manganese Binding Sites List in 4hqn
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 4hqn

Go back to Manganese Binding Sites List in 4hqn
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

Reference:

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
Page generated: Tue Dec 15 04:22:03 2020

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