Sodium in PDB 4guk: New Crystal Form Structure of Human NCS1

The structure of New Crystal Form Structure of Human NCS1, PDB code: 4guk was solved by Chengpeng F., Elias L., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.75
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	54.987, 54.987, 213.954, 90.00, 90.00, 120.00
R / Rfree (%)	20.1 / 24.3

The structure of New Crystal Form Structure of Human NCS1 also contains other interesting chemical elements:

Calcium

(Ca)

12 atoms

The binding sites of Sodium atom in the New Crystal Form Structure of Human NCS1 (pdb code 4guk). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 4 binding sites of Sodium where determined in the New Crystal Form Structure of Human NCS1, PDB code: 4guk:
Jump to Sodium binding site number: 1; 2; 3; 4;

Sodium binding site 1 out of 4 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na209 b:27.7 occ:1.00 O A:THR17 3.3 20.8 1.0 O A:HOH385 3.4 35.6 1.0 CG2 A:THR17 3.8 27.1 1.0 O A:HOH374 3.9 29.4 1.0 O A:PHE22 3.9 22.9 1.0 C A:THR17 4.1 30.1 1.0 O A:THR20 4.2 20.3 1.0 CA A:ARG18 4.7 30.1 1.0 N A:ARG18 4.7 27.2 1.0 CB A:THR17 5.0 23.8 1.0 CA A:THR17 5.0 24.1 1.0

Sodium binding site 2 out of 4 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Na207 b:28.6 occ:1.00 O C:THR12 3.3 21.4 1.0 CG2 C:THR12 3.8 27.2 1.0 O C:PHE17 3.9 24.8 1.0 O C:HOH318 4.0 30.0 1.0 C C:THR12 4.1 33.0 1.0 O C:HOH386 4.2 29.9 1.0 O C:THR15 4.2 21.1 1.0 CA C:ARG13 4.6 30.6 1.0 N C:ARG13 4.6 28.3 1.0 CA C:THR12 4.9 23.0 1.0 C C:PHE17 4.9 22.3 1.0 CB C:THR12 4.9 26.0 1.0

Sodium binding site 3 out of 4 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Na210 b:27.9 occ:1.00 O B:HOH390 2.8 31.1 1.0 O B:THR17 3.3 20.3 1.0 O B:HOH397 3.3 32.1 1.0 CG2 B:THR17 3.9 26.0 1.0 O B:PHE22 3.9 24.8 1.0 O B:HOH383 4.0 31.2 1.0 C B:THR17 4.1 31.8 1.0 O B:THR20 4.2 20.0 1.0 CA B:ARG18 4.7 30.9 1.0 N B:ARG18 4.7 28.0 1.0 C B:PHE22 5.0 23.9 1.0 CA B:THR17 5.0 24.4 1.0

Sodium binding site 4 out of 4 in the New Crystal Form Structure of Human NCS1


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 4 of New Crystal Form Structure of Human NCS1 within 5.0Å range: probe atom residue distance (Å) B Occ D:Na208 b:18.9 occ:1.00 O D:PHE22 2.5 21.8 1.0 O D:THR17 2.5 24.6 1.0 O D:THR20 2.5 21.1 1.0 O D:HOH391 2.6 21.8 1.0 N D:PHE22 3.3 24.1 1.0 C D:PHE22 3.4 25.7 1.0 C D:THR20 3.5 25.4 1.0 C D:THR17 3.5 31.5 1.0 C D:TYR21 3.8 23.1 1.0 CG2 D:THR17 3.8 27.0 1.0 CA D:PHE22 3.9 22.4 1.0 OG1 D:THR20 3.9 24.0 1.0 CA D:TYR21 4.0 18.8 1.0 CA D:THR17 4.1 24.7 1.0 N D:TYR21 4.1 19.5 1.0 N D:THR20 4.4 26.6 1.0 CA D:THR20 4.4 19.3 1.0 N D:THR23 4.5 19.6 1.0 CB D:THR17 4.6 24.6 1.0 O D:TYR21 4.6 21.1 1.0 N D:ARG18 4.6 26.9 1.0 CA D:THR23 4.7 24.3 1.0 CB D:THR20 4.8 23.5 1.0 CB D:PHE22 4.9 21.8 1.0 CA D:ARG18 4.9 30.1 1.0

F.Chengpeng, L.Elias. New Crystal Form Structure of Human NCS1 To Be Published.