Sodium in PDB 4ncz: Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate.

The structure of Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate., PDB code: 4ncz was solved by J.Osipiuk, M.Zhou, M.Gu, W.F.Anderson, A.Joachimiak, Center For Structuralgenomics Of Infectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.02 / 1.89
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.751, 134.498, 137.086, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.8

The structure of Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate. also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Sodium atom in the Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate. (pdb code 4ncz). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate., PDB code: 4ncz:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate. within 5.0Å range: probe atom residue distance (Å) B Occ A:Na304 b:47.0 occ:1.00 O A:ASP52 2.1 39.8 1.0 O A:HOH469 2.3 45.1 1.0 O A:GLU55 2.4 35.7 1.0 O A:HOH445 2.5 50.8 1.0 O A:HOH472 2.5 57.4 1.0 C A:ASP52 3.3 39.9 1.0 C A:GLU55 3.6 36.0 1.0 CA A:ASN53 3.7 38.9 1.0 OD1 A:ASN53 3.9 57.3 1.0 CZ A:PHE32 3.9 37.7 1.0 N A:ASN53 4.0 37.2 1.0 O A:HOH443 4.1 47.1 1.0 N A:GLU55 4.3 35.0 1.0 C A:ASN53 4.3 35.0 1.0 CG A:ARG56 4.3 40.0 1.0 N A:ASP52 4.3 40.4 1.0 CA A:ASP52 4.4 38.3 1.0 O A:HOH477 4.4 52.3 1.0 CE2 A:PHE32 4.4 34.0 1.0 O A:HIS49 4.5 39.5 1.0 O A:HOH425 4.5 37.2 1.0 N A:ARG56 4.5 35.9 1.0 O A:ILE50 4.6 38.3 1.0 CA A:GLU55 4.6 34.0 1.0 CA A:ARG56 4.6 37.0 1.0 N A:ALA54 4.7 33.8 1.0 CG A:ASN53 4.7 50.1 1.0 O A:HOH449 4.7 44.5 1.0 CB A:ASN53 4.8 43.0 1.0 O A:ASN53 4.8 35.2 1.0 CB A:ASP52 4.9 39.5 1.0 C A:HIS51 4.9 44.3 1.0 CE1 A:PHE32 5.0 34.9 1.0

Sodium binding site 2 out of 3 in the Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate. within 5.0Å range: probe atom residue distance (Å) B Occ B:Na305 b:43.2 occ:0.80 O B:HOH446 2.2 47.1 1.0 O B:ASP52 2.2 36.5 1.0 O B:HOH445 2.4 50.3 1.0 O B:HOH444 2.4 48.8 1.0 O B:GLU55 2.6 35.3 1.0 C B:ASP52 3.3 37.0 1.0 C B:GLU55 3.8 33.3 1.0 CA B:ASN53 3.9 37.8 1.0 CZ B:PHE32 3.9 38.3 1.0 O B:HOH447 4.0 40.7 1.0 OD1 B:ASN53 4.0 64.7 1.0 N B:ASN53 4.0 37.6 1.0 N B:ASP52 4.1 33.8 1.0 CA B:ASP52 4.3 35.3 1.0 O B:ILE50 4.3 37.0 1.0 O B:HIS49 4.4 37.1 1.0 N B:GLU55 4.5 32.4 1.0 O B:HOH450 4.5 47.1 1.0 C B:ASN53 4.5 36.3 1.0 CE2 B:PHE32 4.6 35.7 1.0 O B:HOH449 4.7 36.7 1.0 C B:HIS51 4.7 39.5 1.0 N B:ARG56 4.7 34.2 1.0 CG B:ARG56 4.7 39.7 1.0 CA B:ARG56 4.8 35.3 1.0 CA B:GLU55 4.8 32.2 1.0 CG B:ASN53 4.9 55.7 1.0 CB B:ASP52 4.9 35.3 1.0 N B:ALA54 4.9 35.9 1.0 CB B:ASN53 4.9 45.1 1.0 CE1 B:PHE32 5.0 37.0 1.0 C B:ILE50 5.0 35.5 1.0

Sodium binding site 3 out of 3 in the Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate.


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2- [N-Cyclohexylamino]Ethane Sulfonate. within 5.0Å range: probe atom residue distance (Å) B Occ C:Na303 b:44.5 occ:1.00 O C:ASP52 2.2 37.4 1.0 O C:HOH446 2.3 46.2 1.0 O C:GLU55 2.5 31.1 1.0 O C:HOH444 2.5 44.2 1.0 O C:HOH443 2.6 40.7 1.0 C C:ASP52 3.3 35.8 1.0 C C:GLU55 3.7 31.1 1.0 CA C:ASN53 3.9 37.6 1.0 CZ C:PHE32 4.0 38.8 1.0 O C:HOH445 4.0 36.7 1.0 O B:HOH404 4.0 47.9 1.0 N C:ASN53 4.0 37.2 1.0 N C:ASP52 4.3 33.4 1.0 CA C:ASP52 4.4 34.3 1.0 N C:GLU55 4.4 31.1 1.0 C C:ASN53 4.4 33.3 1.0 O C:HIS49 4.5 34.3 1.0 ND2 C:ASN53 4.5 52.8 1.0 CG C:ARG56 4.5 38.7 1.0 CE2 C:PHE32 4.6 35.7 1.0 O C:ILE50 4.6 33.9 1.0 N C:ARG56 4.6 31.9 1.0 O C:HOH442 4.6 42.4 1.0 CA C:ARG56 4.6 31.6 1.0 CA C:GLU55 4.7 28.6 1.0 O C:HOH441 4.7 36.2 1.0 N C:ALA54 4.7 31.8 1.0 C C:HIS51 4.9 35.9 1.0 O B:HOH409 4.9 46.9 1.0 O C:ASN53 4.9 35.3 1.0 CB C:ASP52 4.9 34.9 1.0 CE1 C:PHE32 5.0 36.6 1.0

J.Osipiuk, M.Zhou, M.Gu, W.F.Anderson, A.Joachimiak. Spermidine N-Acetyltransferase From Vibrio Cholerae in Complex with 2-[N-Cyclohexylamino]Ethane Sulfonate. To Be Published.