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Sodium in PDB 6sdl: Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide, PDB code: 6sdl was solved by S.Gloeckner, H.D.Gerber, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.94 / 1.08
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.323, 41.696, 72.103, 90.00, 104.32, 90.00
R / Rfree (%) 13.6 / 15.4

Other elements in 6sdl:

The structure of Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide also contains other interesting chemical elements:

Mercury (Hg) 2 atoms
Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide (pdb code 6sdl). 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 Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide, PDB code: 6sdl:

Sodium binding site 1 out of 1 in 6sdl

Go back to Sodium Binding Sites List in 6sdl
Sodium binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)- 2-Methylpropyl)-4-Sulfamoylbenzamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na303

b:17.8
occ:0.59
 O A:THR37 2.1 16.3 0.4
O A:THR37 2.5 15.3 0.6
O A:HOH434 2.6 26.1 1.0
O A:HOH588 2.6 27.4 1.0
HG22 A:THR37 2.6 18.6 0.4
O A:HOH540 2.6 15.2 1.0
O A:HOH571 2.9 32.9 1.0
C A:THR37 3.3 14.5 0.4
HA A:ALA38 3.5 14.9 0.4
CG2 A:THR37 3.5 15.5 0.4
HG2 A:GLN255 3.5 25.7 1.0
HG23 A:THR37 3.5 18.6 0.4
H A:LYS39 3.5 14.0 0.6
HA A:ALA38 3.6 14.6 0.6
C A:THR37 3.6 14.2 0.6
HB A:THR37 3.7 18.4 0.6
O A:HOH494 3.8 18.2 1.0
HB2 A:LYS39 3.9 14.6 0.4
HB3 A:GLN255 3.9 19.4 1.0
HE21 A:GLN255 4.0 33.2 1.0
H A:ILE256 4.0 11.2 1.0
HG21 A:THR37 4.1 18.6 0.4
N A:ALA38 4.1 13.1 0.4
CA A:ALA38 4.1 12.5 0.4
HA A:GLN255 4.1 15.3 1.0
CG A:GLN255 4.2 21.4 1.0
HA A:THR37 4.2 17.2 0.4
CA A:THR37 4.2 14.3 0.4
HB2 A:LYS39 4.2 14.9 0.6
H A:LYS39 4.2 15.3 0.4
NE2 A:GLN255 4.2 27.6 1.0
O A:ILE256 4.3 10.4 1.0
N A:LYS39 4.3 11.7 0.6
CB A:THR37 4.3 14.9 0.4
CA A:ALA38 4.4 12.2 0.6
N A:LYS39 4.4 12.7 0.4
CD A:GLN255 4.4 26.3 1.0
N A:ALA38 4.4 12.6 0.6
C A:ALA38 4.4 13.2 0.4
CB A:GLN255 4.4 16.1 1.0
CB A:THR37 4.5 15.4 0.6
HB A:THR37 4.5 17.9 0.4
CA A:THR37 4.6 14.6 0.6
O A:HOH579 4.7 36.0 1.0
HB3 A:LYS39 4.7 14.6 0.4
CB A:LYS39 4.7 12.2 0.4
HE22 A:GLN255 4.7 33.2 1.0
N A:ILE256 4.7 9.3 1.0
O A:HOH562 4.7 21.0 1.0
HA A:THR37 4.7 17.5 0.6
CA A:GLN255 4.8 12.8 1.0
C A:ALA38 4.8 13.0 0.6
OG1 A:THR37 4.9 16.8 0.6
HB3 A:LYS39 4.9 14.9 0.6
H A:ALA38 4.9 15.8 0.4
CB A:LYS39 4.9 12.4 0.6

Reference:

S.Gloeckner, H.D.Gerber, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with (R)-N-(3-(1H-Indol-1-Yl)-2-Methylpropyl) -4-Sulfamoylbenzamide To Be Published.
Page generated: Tue Oct 8 13:25:43 2024

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