Sodium in PDB 6sg6: Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide

Enzymatic activity of Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide

All present enzymatic activity of Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide:
4.2.1.1;

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide, PDB code: 6sg6 was solved by S.Gloeckner, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.98 / 0.98
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.336, 41.664, 72.230, 90.00, 104.42, 90.00
R / Rfree (%) 12.2 / 13.5

Other elements in 6sg6:

The structure of Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide 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 Furan-Containing Benzenesulfonamide (pdb code 6sg6). 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 Furan-Containing Benzenesulfonamide, PDB code: 6sg6:

Sodium binding site 1 out of 1 in 6sg6

Go back to Sodium Binding Sites List in 6sg6
Sodium binding site 1 out of 1 in the Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide


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 Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na305

b:17.4
occ:0.55
O A:THR37 2.0 16.1 0.5
O A:HOH433 2.5 26.1 1.0
O A:THR37 2.5 12.6 0.6
O A:HOH558 2.7 15.2 1.0
HG22 A:THR37 2.8 18.3 0.5
C A:THR37 3.1 14.0 0.5
HA A:ALA38 3.3 14.3 0.5
HG2 A:GLN255 3.6 12.8 0.5
HG23 A:THR37 3.6 18.3 0.5
H A:LYS39 3.6 14.1 0.6
CG2 A:THR37 3.6 15.2 0.5
C A:THR37 3.7 10.8 0.6
HA A:ALA38 3.7 12.2 0.6
HE21 A:GLN255 3.7 17.4 0.5
HB A:THR37 3.7 17.6 0.6
HB2 A:LYS39 3.9 16.0 0.6
CA A:ALA38 3.9 11.9 0.5
O A:HOH515 3.9 18.3 1.0
HB3 A:GLN255 3.9 15.2 0.5
N A:ALA38 3.9 13.0 0.5
H A:LYS39 4.0 15.5 0.5
HB3 A:GLN255 4.0 19.4 0.6
NE2 A:GLN255 4.0 14.5 0.5
H A:ILE256 4.0 11.0 0.6
HB2 A:LYS39 4.1 15.1 0.5
HA A:GLN255 4.1 14.6 0.5
HA A:THR37 4.2 15.8 0.5
H A:ILE256 4.2 11.0 0.5
CA A:THR37 4.2 13.2 0.5
N A:LYS39 4.2 12.9 0.5
O A:ILE256 4.2 9.9 1.0
N A:LYS39 4.2 11.8 0.6
CG A:GLN255 4.2 10.7 0.5
HA A:GLN255 4.3 14.8 0.6
C A:ALA38 4.3 12.6 0.5
HG21 A:THR37 4.3 18.3 0.5
CD A:GLN255 4.3 13.1 0.5
CA A:ALA38 4.4 10.2 0.6
CB A:THR37 4.4 14.8 0.5
N A:ALA38 4.4 10.2 0.6
HE22 A:GLN255 4.4 17.4 0.5
CB A:GLN255 4.5 12.7 0.5
CB A:THR37 4.5 14.7 0.6
HB3 A:LYS39 4.6 15.1 0.5
HB A:THR37 4.6 17.8 0.5
CA A:THR37 4.6 12.3 0.6
CB A:LYS39 4.7 13.4 0.6
O A:HOH579 4.7 33.1 1.0
HB3 A:LYS39 4.7 16.0 0.6
CB A:LYS39 4.7 12.5 0.5
N A:ILE256 4.7 9.2 1.0
CA A:GLN255 4.7 12.1 0.5
C A:ALA38 4.8 12.2 0.6
CB A:GLN255 4.8 16.1 0.6
H A:ALA38 4.8 15.6 0.5
HA A:THR37 4.8 14.8 0.6
O A:HOH567 4.8 22.7 1.0
CA A:GLN255 4.9 12.3 0.6
OG1 A:THR37 4.9 15.9 0.6

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with Furan-Containing Benzenesulfonamide To Be Published.
Page generated: Tue Dec 15 12:59:54 2020

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