Sodium in PDB 2nn1: Structure of Inhibitor Binding to Carbonic Anhydrase I

All present enzymatic activity of Structure of Inhibitor Binding to Carbonic Anhydrase I:
4.2.1.1;

The structure of Structure of Inhibitor Binding to Carbonic Anhydrase I, PDB code: 2nn1 was solved by D.W.Christianson, K.M.Jude, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.63 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.421, 71.818, 121.965, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.2

The structure of Structure of Inhibitor Binding to Carbonic Anhydrase I also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Sodium atom in the Structure of Inhibitor Binding to Carbonic Anhydrase I (pdb code 2nn1). 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 Structure of Inhibitor Binding to Carbonic Anhydrase I, PDB code: 2nn1:

Sodium binding site 1 out of 1 in the Structure of Inhibitor Binding to Carbonic Anhydrase I


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Inhibitor Binding to Carbonic Anhydrase I within 5.0Å range: probe atom residue distance (Å) B Occ B:Na351 b:32.8 occ:1.00 O B:SER259 2.3 20.8 1.0 O B:HOH469 2.3 19.1 1.0 O B:HOH468 2.4 26.9 1.0 O B:HOH688 2.5 25.2 1.0 O B:HOH548 2.6 26.7 1.0 O B:HOH665 2.6 29.9 1.0 C B:SER259 3.4 19.8 1.0 O B:LEU44 3.8 21.5 1.0 NE2 B:HIS40 3.8 21.0 1.0 CA B:SER259 4.0 18.1 1.0 O B:HOH471 4.3 23.3 1.0 CB B:SER259 4.3 17.1 1.0 N B:PHE260 4.5 19.9 1.0 O B:HOH559 4.6 25.0 1.0 O B:HOH905 4.6 40.8 1.0 CE1 B:HIS40 4.7 19.8 1.0 O B:HOH852 4.7 43.8 1.0 CD2 B:HIS40 4.7 19.9 1.0 CA B:PHE260 4.8 23.3 1.0 OG B:SER259 4.9 15.6 1.0 O B:ASP41 5.0 16.6 1.0 C B:LEU44 5.0 20.0 1.0

D.K.Srivastava, K.M.Jude, A.L.Banerjee, M.Haldar, S.Manokaran, J.Kooren, S.Mallik, D.W.Christianson. Structural Analysis of Charge Discrimination in the Binding of Inhibitors to Human Carbonic Anhydrases I and II J.Am.Chem.Soc. V. 129 5528 2007.
ISSN: ISSN 0002-7863
PubMed: 17407288
DOI: 10.1021/JA068359W