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Sodium in PDB 6r8g: Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine

Enzymatic activity of Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine

All present enzymatic activity of Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine:
1.1.1.37;

Protein crystallography data

The structure of Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine, PDB code: 6r8g was solved by A.R.Romero, V.Calderone, M.Gentili, S.Lunev, M.Groves, G.Popowicz, A.Domling, M.Sattler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.97 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 84.760, 106.890, 145.010, 90.00, 90.00, 90.00
R / Rfree (%) 21 / 23.8

Other elements in 6r8g:

The structure of Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine also contains other interesting chemical elements:

Fluorine (F) 8 atoms

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine (pdb code 6r8g). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine, PDB code: 6r8g:

Sodium binding site 1 out of 1 in 6r8g

Go back to Sodium Binding Sites List in 6r8g
Sodium binding site 1 out of 1 in the Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with 4-(3,4-Difluorophenyl)Thiazol-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na402

b:46.1
occ:1.00
 OH A:TYR243 2.6 32.6 1.0
O A:ASP71 2.8 27.6 1.0
O A:LYS111 2.9 37.6 1.0
CZ A:TYR243 3.4 30.2 1.0
CE2 A:TYR243 3.5 28.6 1.0
C A:ASP71 3.6 28.6 1.0
CA A:ASP71 3.7 29.1 1.0
N A:PHE113 3.7 31.8 1.0
CA A:ALA112 3.9 34.6 1.0
C A:LYS111 4.0 36.8 1.0
C A:ALA112 4.0 32.8 1.0
CB A:ASP71 4.1 29.7 1.0
NZ A:LYS138 4.3 46.3 1.0
N A:ALA112 4.4 34.4 1.0
OD1 A:ASP71 4.5 28.9 1.0
CB A:PHE113 4.7 30.7 1.0
CE1 A:TYR243 4.7 30.4 1.0
CA A:PHE113 4.8 30.0 1.0
CD2 A:TYR243 4.8 28.3 1.0
CG A:ASP71 4.9 29.4 1.0
O A:ALA70 4.9 30.4 1.0
N A:ILE72 4.9 30.4 1.0
O A:ALA112 4.9 33.6 1.0
N A:ASP71 5.0 29.6 1.0

Reference:

A.R.Romero, V.Calderone, S.Lunev, M.Groves, G.Popowicz, A.Domling, M.Sattler. Crystal Structure of Malate Dehydrogenase From Plasmodium Falciparum in Complex with Small Molecule at 2.0 Angstroms Resolution To Be Published.
Page generated: Tue Oct 8 13:05:59 2024

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