Sodium in PDB 9j0t: Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca

The structure of Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca, PDB code: 9j0t was solved by V.Sharma, S.Murmu, R.P.Roy, V.Krishnan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.03 / 1.50
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	111.939, 111.939, 71.638, 90, 90, 90
R / Rfree (%)	14.4 / 17.9

The binding sites of Sodium atom in the Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca (pdb code 9j0t). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca, PDB code: 9j0t:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca


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 Sortase E Mutant - C222A From Thermobifida Fusca within 5.0Å range: probe atom residue distance (Å) B Occ A:Na301 b:26.7 occ:1.00 OD1 A:ASP120 3.0 15.7 1.0 OD1 B:ASP120 3.0 15.6 1.0 O A:SER114 3.2 15.2 1.0 O B:SER114 3.2 15.1 1.0 CB B:VAL113 3.5 15.4 1.0 CB A:VAL113 3.6 14.8 1.0 CG2 B:VAL113 3.6 16.3 1.0 CG2 A:VAL113 3.7 15.4 1.0 CG B:ASP120 3.9 15.2 1.0 CG A:ASP120 3.9 14.6 1.0 CA B:ASP120 4.0 13.6 1.0 CB B:ASP120 4.0 13.7 1.0 CA A:ASP120 4.1 13.0 1.0 CG1 B:VAL113 4.1 17.5 1.0 CB A:ASP120 4.1 13.0 1.0 CG1 A:VAL113 4.2 16.8 1.0 C A:SER114 4.3 14.1 1.0 N B:SER114 4.3 14.0 1.0 C B:SER114 4.3 15.3 1.0 N A:SER114 4.4 13.4 1.0 O B:ASP120 4.4 14.0 1.0 O A:ASP120 4.5 16.1 1.0 CA B:VAL113 4.7 13.4 1.0 C B:ASP120 4.8 13.4 1.0 C A:ASP120 4.8 13.8 1.0 CA A:VAL113 4.8 13.7 1.0 CA B:SER114 4.8 15.4 1.0 CA A:SER114 4.9 13.8 1.0 C B:VAL113 4.9 13.6 1.0 C A:VAL113 4.9 13.3 1.0

Sodium binding site 2 out of 3 in the Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca


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 Sortase E Mutant - C222A From Thermobifida Fusca within 5.0Å range: probe atom residue distance (Å) B Occ A:Na303 b:21.1 occ:1.00 O A:HOH524 2.5 25.3 1.0 O A:VAL111 2.6 19.8 1.0 O A:PRO125 2.6 12.8 1.0 N A:PRO125 3.2 12.5 1.0 C A:GLY124 3.2 13.1 1.0 CD A:PRO125 3.5 14.0 1.0 CA A:GLY124 3.5 13.7 1.0 C A:PRO125 3.6 11.8 1.0 O A:GLY124 3.7 13.6 1.0 C A:VAL111 3.8 15.0 1.0 N A:VAL113 3.9 13.2 1.0 CG1 A:VAL113 3.9 16.8 1.0 CA A:PRO125 4.0 12.4 1.0 N A:GLY124 4.1 15.9 1.0 CG A:PRO125 4.2 14.5 1.0 CA A:VAL112 4.2 12.7 1.0 CG2 A:VAL113 4.3 15.4 1.0 O A:HOH449 4.4 22.7 1.0 N A:VAL112 4.5 12.8 1.0 C A:VAL112 4.5 13.2 1.0 CB A:VAL113 4.5 14.8 1.0 CB A:PRO125 4.7 13.3 1.0 CA A:VAL113 4.8 13.7 1.0 N A:GLY126 4.8 11.2 1.0 C A:TYR123 4.9 19.4 1.0 CB A:TRP110 5.0 14.2 1.0 CA A:VAL111 5.0 15.8 1.0

Sodium binding site 3 out of 3 in the Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca within 5.0Å range: probe atom residue distance (Å) B Occ B:Na302 b:22.0 occ:1.00 O B:HOH514 2.5 25.1 1.0 O B:VAL111 2.6 18.8 1.0 O B:PRO125 2.6 13.0 1.0 N B:PRO125 3.2 12.7 1.0 C B:GLY124 3.2 12.8 1.0 CD B:PRO125 3.5 13.5 1.0 CA B:GLY124 3.5 13.2 1.0 C B:PRO125 3.6 11.8 1.0 O B:GLY124 3.7 13.1 1.0 C B:VAL111 3.8 14.7 1.0 N B:VAL113 3.8 12.5 1.0 CG1 B:VAL113 3.9 17.5 1.0 CA B:PRO125 3.9 12.2 1.0 N B:GLY124 4.2 15.2 1.0 CG B:PRO125 4.2 14.4 1.0 CA B:VAL112 4.2 13.2 1.0 CG2 B:VAL113 4.2 16.3 1.0 O B:HOH426 4.4 23.3 1.0 CB B:VAL113 4.4 15.4 1.0 N B:VAL112 4.5 12.2 1.0 C B:VAL112 4.5 13.0 1.0 O A:HOH481 4.7 34.1 1.0 CB B:PRO125 4.8 13.7 1.0 CA B:VAL113 4.8 13.4 1.0 N B:GLY126 4.8 11.1 1.0 C B:TYR123 4.9 18.5 1.0 CA B:VAL111 5.0 14.0 1.0 CB B:TRP110 5.0 12.6 1.0

V.Sharma, S.Murmu, R.P.Roy, V.Krishnan. Crystal Structure of Sortase E Mutant - C222A From Thermobifida Fusca To Be Published.