Sodium in PDB 3mc1: Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum

The structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum, PDB code: 3mc1 was solved by S.Eswaramoorthy, S.K.Burley, S.Swaminathan, New York Sgxresearch Center For Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.93
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.938, 53.524, 64.182, 90.00, 97.10, 90.00
R / Rfree (%)	22.4 / 27.2

The structure of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Sodium atom in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum (pdb code 3mc1). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum, PDB code: 3mc1:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:22.2 occ:1.00 OD2 A:ASP8 2.1 23.1 1.0 O A:HOH266 2.2 20.1 1.0 O A:ASP10 2.2 13.3 1.0 OD1 A:ASP165 2.3 19.6 1.0 O A:HOH252 2.4 19.1 1.0 CG A:ASP165 3.3 17.9 1.0 CG A:ASP8 3.3 17.1 1.0 C A:ASP10 3.5 13.2 1.0 OD2 A:ASP165 3.6 15.0 1.0 CA A:GLY46 3.9 18.4 1.0 OD2 A:ASP169 4.0 17.1 1.0 CB A:ASP8 4.1 13.9 1.0 O A:HOH236 4.2 16.2 1.0 OD1 A:ASP8 4.3 16.5 1.0 CA A:GLY11 4.4 12.7 1.0 N A:GLY11 4.4 12.5 1.0 CG A:ARG166 4.4 22.1 1.0 CA A:ASP10 4.4 12.8 1.0 OG1 A:THR12 4.4 11.6 1.0 N A:ASP10 4.5 12.3 1.0 CB A:ASP10 4.5 11.6 1.0 N A:ASP165 4.6 11.9 1.0 C A:GLY11 4.7 13.7 1.0 CB A:ASP165 4.7 14.6 1.0 O A:HOH229 4.7 14.3 1.0 N A:GLY46 4.7 17.6 1.0 O A:VAL45 4.8 18.1 1.0 N A:THR12 4.8 12.7 1.0 CG A:ASP169 4.9 15.9 1.0 C A:GLY46 4.9 16.4 1.0 OD1 A:ASP169 4.9 17.9 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum within 5.0Å range: probe atom residue distance (Å) B Occ B:Na301 b:25.3 occ:1.00 O B:ASP10 2.2 17.5 1.0 OD2 B:ASP8 2.2 28.3 1.0 OD1 B:ASP165 2.4 22.0 1.0 O B:HOH234 2.4 18.0 1.0 O B:HOH235 2.5 22.3 1.0 C B:ASP10 3.3 16.4 1.0 CG B:ASP165 3.4 21.4 1.0 CG B:ASP8 3.4 27.2 1.0 OD2 B:ASP165 3.6 19.8 1.0 CA B:GLY46 3.9 19.7 1.0 OD2 B:ASP169 4.0 24.7 1.0 CG B:ARG166 4.2 27.1 1.0 CB B:ASP8 4.2 23.8 1.0 N B:GLY11 4.2 18.2 1.0 CA B:GLY11 4.2 17.9 1.0 OD1 B:ASP8 4.2 28.8 1.0 CA B:ASP10 4.3 16.4 1.0 O B:HOH237 4.3 16.6 1.0 CB B:ASP10 4.4 16.5 1.0 OG1 B:THR12 4.4 17.9 1.0 N B:ASP10 4.5 16.1 1.0 C B:GLY11 4.6 18.9 1.0 N B:ASP165 4.7 20.3 1.0 CB B:ASP165 4.7 19.7 1.0 O B:VAL45 4.7 16.2 1.0 N B:GLY46 4.7 18.6 1.0 O B:HOH238 4.8 20.9 1.0 N B:THR12 4.8 18.5 1.0 OD1 B:ASP169 4.9 24.1 1.0 CG B:ASP169 4.9 23.9 1.0 CB B:ARG166 4.9 23.4 1.0

S.Eswaramoorthy, S.K.Burley, S.Swaminathan. Crystal Structure of A Predicted Phosphatase From Clostridium Acetobutylicum To Be Published 2010.