Sodium in PDB 6sfq: Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione

Enzymatic activity of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione

All present enzymatic activity of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione:
4.2.1.1;

Protein crystallography data

The structure of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione, PDB code: 6sfq was solved by S.Gloeckner, K.Ngo, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.06 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 42.410, 41.608, 72.135, 90.00, 104.48, 90.00
R / Rfree (%) 12.6 / 14.7

Other elements in 6sfq:

The structure of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione also contains other interesting chemical elements:

Mercury (Hg) 3 atoms
Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione (pdb code 6sfq). 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 Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione, PDB code: 6sfq:

Sodium binding site 1 out of 1 in 6sfq

Go back to Sodium Binding Sites List in 6sfq
Sodium binding site 1 out of 1 in the Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na302

b:18.4
occ:0.62
 O A:THR37 2.1 14.9 0.4
O A:HOH438 2.4 26.4 1.0
O A:THR37 2.4 13.9 0.6
O A:HOH574 2.7 16.1 1.0
HG22 A:THR37 2.8 15.6 0.4
C A:THR37 3.2 13.3 0.4
HA A:ALA38 3.4 14.8 0.4
H A:LYS39 3.5 14.4 0.6
HA A:ALA38 3.6 13.6 0.6
C A:THR37 3.6 12.7 0.6
CG2 A:THR37 3.6 12.9 0.4
HE21 A:GLN255 3.7 21.1 0.6
HG23 A:THR37 3.7 15.6 0.4
HG2 A:GLN255 3.7 17.1 0.6
HB A:THR37 3.7 20.0 0.6
HB3 A:GLN255 3.8 15.8 0.6
HB2 A:LYS39 3.9 17.2 0.4
O A:HOH547 3.9 18.1 1.0
CA A:ALA38 4.0 12.3 0.4
N A:ALA38 4.0 13.1 0.4
NE2 A:GLN255 4.0 17.6 0.6
HB2 A:LYS39 4.0 17.0 0.6
H A:ILE256 4.1 11.4 0.4
H A:LYS39 4.1 15.0 0.4
H A:ILE256 4.2 11.4 0.6
N A:LYS39 4.2 12.0 0.6
HA A:GLN255 4.2 14.5 0.4
O A:ILE256 4.2 10.4 1.0
HA A:THR37 4.2 14.5 0.4
CA A:THR37 4.2 12.1 0.4
HG21 A:THR37 4.3 15.6 0.4
N A:LYS39 4.3 12.5 0.4
C A:ALA38 4.3 12.8 0.4
HA A:GLN255 4.3 15.1 0.6
CA A:ALA38 4.3 11.4 0.6
CG A:GLN255 4.3 14.2 0.6
N A:ALA38 4.4 11.2 0.6
CD A:GLN255 4.4 17.2 0.6
HB3 A:GLN255 4.4 15.7 0.4
HE22 A:GLN255 4.4 21.1 0.6
CB A:GLN255 4.4 13.2 0.6
CB A:THR37 4.5 12.4 0.4
CB A:THR37 4.5 16.6 0.6
CA A:THR37 4.5 14.0 0.6
HB3 A:LYS39 4.6 17.2 0.4
CB A:LYS39 4.6 14.3 0.4
O A:HOH591 4.6 32.6 1.0
HB A:THR37 4.6 14.8 0.4
HB3 A:LYS39 4.7 17.0 0.6
HA A:THR37 4.7 16.8 0.6
C A:ALA38 4.7 12.7 0.6
CB A:LYS39 4.7 14.2 0.6
N A:ILE256 4.8 9.5 1.0
H A:ALA38 4.8 15.7 0.4
CA A:GLN255 4.8 12.5 0.6
O A:HOH590 4.9 24.1 1.0
OG1 A:THR37 4.9 18.2 0.6
CA A:GLN255 5.0 12.1 0.4

Reference:

S.Gloeckner, K.Ngo, A.Heine, G.Klebe. Atomic Resolution Structure of Human Carbonic Anhydrase II in Complex with (R)-5-Phenyloxazolidine-2,4-Dione To Be Published.
Page generated: Tue Dec 15 12:59:38 2020

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