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Sodium in PDB 6tlb: Plasmodium Falciparum Lipocalin (PF3D7_0925900)

Protein crystallography data

The structure of Plasmodium Falciparum Lipocalin (PF3D7_0925900), PDB code: 6tlb was solved by P.C.Burda, T.D.Crosskey, K.Lauk, M.Wilmanns, T.W.Gilberger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 56.20 / 2.85
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 63.993, 92.250, 214.502, 90.00, 98.35, 90.00
R / Rfree (%) 18.9 / 23.6

Sodium Binding Sites:

The binding sites of Sodium atom in the Plasmodium Falciparum Lipocalin (PF3D7_0925900) (pdb code 6tlb). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Plasmodium Falciparum Lipocalin (PF3D7_0925900), PDB code: 6tlb:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in 6tlb

Go back to Sodium Binding Sites List in 6tlb
Sodium binding site 1 out of 3 in the Plasmodium Falciparum Lipocalin (PF3D7_0925900)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Plasmodium Falciparum Lipocalin (PF3D7_0925900) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Na401

b:20.0
occ:1.00
O B:CYS47 3.5 54.9 1.0
O B:GLN189 4.1 38.1 1.0
N B:ASP191 4.2 39.5 1.0
CG D:TRP184 4.2 60.0 1.0
CD2 D:TRP184 4.2 58.8 1.0
CE2 D:TRP184 4.3 57.2 1.0
CD1 D:TRP184 4.3 54.9 1.0
NE1 D:TRP184 4.4 53.1 1.0
CA B:THR190 4.4 39.8 1.0
CG2 B:ILE188 4.5 44.2 1.0
C B:CYS47 4.6 50.1 1.0
CE3 D:TRP184 4.7 59.5 1.0
CB D:TRP184 4.8 62.7 1.0
C B:THR190 4.8 38.8 1.0
NZ B:LYS40 4.8 60.2 1.0
CB B:ASP191 4.9 42.7 1.0
CZ2 D:TRP184 4.9 62.3 1.0
C B:GLN189 4.9 38.5 1.0

Sodium binding site 2 out of 3 in 6tlb

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Sodium binding site 2 out of 3 in the Plasmodium Falciparum Lipocalin (PF3D7_0925900)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Plasmodium Falciparum Lipocalin (PF3D7_0925900) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na303

b:20.0
occ:1.00
O D:CYS47 3.5 48.3 1.0
O D:GLN189 3.9 42.3 1.0
N D:ASP191 4.0 39.4 1.0
CD2 B:TRP184 4.1 54.6 1.0
CG B:TRP184 4.1 53.4 1.0
CA D:THR190 4.2 38.7 1.0
CE2 B:TRP184 4.3 52.7 1.0
CD1 B:TRP184 4.3 45.9 1.0
NE1 B:TRP184 4.4 46.6 1.0
CE3 B:TRP184 4.5 53.8 1.0
C D:THR190 4.6 38.9 1.0
C D:CYS47 4.6 45.3 1.0
CG2 D:ILE188 4.7 52.0 1.0
CB B:TRP184 4.7 62.2 1.0
CB D:ASP191 4.7 45.5 1.0
C D:GLN189 4.8 42.4 1.0
CZ2 B:TRP184 4.9 52.2 1.0
O3 D:GOL301 4.9 83.9 1.0
C3 D:GOL301 4.9 87.5 1.0
CA D:ASP191 5.0 41.1 1.0

Sodium binding site 3 out of 3 in 6tlb

Go back to Sodium Binding Sites List in 6tlb
Sodium binding site 3 out of 3 in the Plasmodium Falciparum Lipocalin (PF3D7_0925900)


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Plasmodium Falciparum Lipocalin (PF3D7_0925900) within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Na304

b:20.0
occ:1.00
OH D:TYR110 3.7 55.7 1.0
OG D:SER108 4.2 43.6 1.0
OD1 D:ASN92 4.8 41.2 1.0
CB D:SER108 4.8 43.8 1.0
CZ D:TYR110 4.9 46.7 1.0

Reference:

P.C.Burda, T.D.Crosskey, K.Lauk, A.Zurborg, C.Keil, B.Liffner, L.Wilcke, J.Strauss, C.Jeffries, D.Wilson, M.Wilmanns, T.W.Gilberger. Structural and Functional Analysis of An Essential Lipocalin in the Malaria Parasite Plasmodium Falciparum To Be Published.
Page generated: Tue Oct 8 13:59:07 2024

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