Sodium in PDB 5ekm: Human Carbonic Anhydrase II Complexed with A Two-Faced Guest

All present enzymatic activity of Human Carbonic Anhydrase II Complexed with A Two-Faced Guest:
4.2.1.1;

The structure of Human Carbonic Anhydrase II Complexed with A Two-Faced Guest, PDB code: 5ekm was solved by B.W.Roose, I.J.Dmochowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.14 / 1.33
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.310, 41.350, 72.040, 90.00, 104.06, 90.00
R / Rfree (%)	14.2 / 16.7

The structure of Human Carbonic Anhydrase II Complexed with A Two-Faced Guest also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Sodium atom in the Human Carbonic Anhydrase II Complexed with A Two-Faced Guest (pdb code 5ekm). 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 Complexed with A Two-Faced Guest, PDB code: 5ekm:

Sodium binding site 1 out of 1 in the Human Carbonic Anhydrase II Complexed with A Two-Faced Guest


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 Complexed with A Two-Faced Guest within 5.0Å range: probe atom residue distance (Å) B Occ A:Na302 b:12.7 occ:1.00 O A:HOH470 2.4 18.8 1.0 OG A:SER220 2.4 17.4 1.0 O A:HOH462 2.4 15.2 1.0 O A:HOH479 2.4 11.9 1.0 CB A:SER220 3.5 14.6 1.0 N A:SER220 4.1 9.6 1.0 O A:HOH515 4.2 21.0 1.0 OE1 A:GLU221 4.2 13.5 1.0 OE2 A:GLU221 4.2 16.2 1.0 CA A:SER220 4.4 11.0 1.0 CD A:GLU221 4.6 13.2 1.0 O A:GLY151 4.8 11.0 1.0

Y.Wang, B.W.Roose, J.P.Philbin, J.L.Doman, I.J.Dmochowski. Programming A Molecular Relay For Ultrasensitive Biodetection Through (129) Xe uc(Nmr). Angew.Chem.Int.Ed.Engl. V. 55 1733 2016.
ISSN: ESSN 1521-3773
PubMed: 26692420
DOI: 10.1002/ANIE.201508990