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

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

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

Protein crystallography data

The structure of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide, PDB code: 6sfu 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) 29.24 / 1.04
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.447, 41.620, 72.401, 90.00, 104.56, 90.00
R / Rfree (%) 12.6 / 13.8

Other elements in 6sfu:

The structure of Human Carbonic Anhydrase II in Complex with A 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 A Furan-Containing Benzenesulfonamide (pdb code 6sfu). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide, PDB code: 6sfu:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 6sfu

Go back to Sodium Binding Sites List in 6sfu
Sodium binding site 1 out of 2 in the Human Carbonic Anhydrase II in Complex with A 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 A Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na304

b:18.9
occ:0.52
O A:THR37 2.1 13.5 0.5
O A:HOH429 2.4 24.2 1.0
O A:THR37 2.5 11.7 0.5
O A:HOH561 2.8 14.1 1.0
HG22 A:THR37 2.9 14.7 0.5
C A:THR37 3.3 12.0 0.5
HA A:ALA38 3.4 12.6 0.5
HG23 A:THR37 3.6 14.7 0.5
HA A:ALA38 3.6 12.7 0.5
H A:LYS39 3.6 13.8 0.5
C A:THR37 3.7 11.7 0.5
CG2 A:THR37 3.7 12.3 0.5
HB A:THR37 3.8 18.1 0.5
HB2 A:LYS39 3.9 15.4 1.0
H A:LYS39 3.9 13.8 0.5
O A:HOH524 4.0 16.0 1.0
CA A:ALA38 4.1 10.5 0.5
N A:ALA38 4.1 11.1 0.5
H A:ILE256 4.1 9.7 1.0
N A:LYS39 4.2 11.5 1.0
HA A:GLN255 4.2 14.2 1.0
O A:ILE256 4.2 8.9 1.0
HA A:THR37 4.3 13.5 0.5
CA A:THR37 4.3 11.2 0.5
HG21 A:THR37 4.3 14.7 0.5
C A:ALA38 4.3 11.5 0.5
CA A:ALA38 4.3 10.6 0.5
N A:ALA38 4.4 10.9 0.5
CB A:THR37 4.5 11.7 0.5
CB A:THR37 4.6 15.1 0.5
HB3 A:LYS39 4.6 15.4 1.0
O A:HOH628 4.6 28.6 1.0
CB A:LYS39 4.6 12.8 1.0
CA A:THR37 4.6 12.8 0.5
HB A:THR37 4.7 14.0 0.5
CB A:GLN255 4.7 15.0 1.0
C A:ALA38 4.7 12.0 0.5
HA A:THR37 4.8 15.4 0.5
N A:ILE256 4.8 8.1 1.0
CA A:GLN255 4.9 11.8 1.0
H A:ALA38 4.9 13.4 0.5
O A:HOH575 4.9 19.2 1.0

Sodium binding site 2 out of 2 in 6sfu

Go back to Sodium Binding Sites List in 6sfu
Sodium binding site 2 out of 2 in the Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na305

b:22.2
occ:0.44
OG A:SER73 2.7 17.7 0.5
OG A:SER73 2.8 20.5 0.5
HB2 A:SER73 3.3 21.0 0.5
HB2 A:SER73 3.4 23.7 0.5
HG A:SER73 3.4 24.6 0.5
CB A:SER73 3.6 17.5 0.5
CB A:SER73 3.6 19.8 0.5
HB3 A:SER73 4.1 21.0 0.5
HB3 A:SER73 4.2 23.7 0.5
O A:SER73 4.3 19.4 0.5
O A:SER73 4.5 20.9 0.5
C A:SER73 4.5 20.3 0.5
C A:SER73 4.7 18.9 0.5
CA A:SER73 4.7 19.4 0.5
CB A:GLN74 4.8 22.5 0.5
CA A:SER73 4.8 17.2 0.5
OD2 A:ASP71 4.9 14.5 0.5
N A:GLN74 4.9 21.3 0.5
OD1 A:ASP71 4.9 16.5 0.5
OD1 A:ASP71 5.0 14.9 0.5

Reference:

S.Gloeckner, A.Heine, G.Klebe. Human Carbonic Anhydrase II in Complex with A Furan-Containing Benzenesulfonamide To Be Published.
Page generated: Tue Dec 15 12:59:40 2020

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