Sodium in PDB 6qdu: Crystal Structure of 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc

The structure of Crystal Structure of 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc, PDB code: 6qdu was solved by S.A.Andrei, A.Kaplan, A.E.Fournier, C.Ottman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 1.63
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	82.854, 111.737, 62.802, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 19.6

The structure of Crystal Structure of 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Crystal Structure of 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc (pdb code 6qdu). 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 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc, PDB code: 6qdu:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc


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 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc within 5.0Å range: probe atom residue distance (Å) B Occ A:Na304 b:31.1 occ:1.00 O A:HOH607 2.4 58.3 1.0 O A:LYS77 2.4 56.3 1.0 OE1 A:GLU80 2.4 17.7 1.0 O A:HOH476 2.8 24.9 1.0 CD A:GLU80 2.9 17.3 1.0 OE2 A:GLU80 2.9 20.1 1.0 HA3 A:GLY78 3.2 34.7 1.0 C A:LYS77 3.4 51.5 1.0 CA A:GLY78 4.0 28.9 1.0 HD2 A:PRO79 4.1 21.4 1.0 HB3 A:LYS77 4.1 69.5 1.0 N A:GLY78 4.2 37.4 1.0 CG A:GLU80 4.2 16.4 1.0 HB2 A:GLU80 4.3 18.6 1.0 HG2 A:GLU80 4.3 19.4 1.0 HA A:LYS77 4.4 62.8 1.0 H A:GLU80 4.4 19.3 1.0 CA A:LYS77 4.4 52.3 1.0 C A:GLY78 4.7 22.6 1.0 HA2 A:GLY78 4.8 34.7 1.0 CB A:LYS77 4.8 57.8 1.0 CB A:GLU80 4.8 15.7 1.0 HG3 A:GLU80 4.9 19.4 1.0 CD A:PRO79 4.9 17.8 1.0 O A:HOH571 5.0 20.8 1.0 N A:PRO79 5.0 17.4 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc


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 14-3-3SIGMA in Complex with A RAPGEF2 PT740 Phosphopeptide Inhibited By Semi-Synthetic Fusicoccane Fc-Ncpc within 5.0Å range: probe atom residue distance (Å) B Occ A:Na305 b:13.7 occ:0.50 O A:HOH540 2.4 32.0 1.0 OE1 A:GLU2 2.5 16.2 1.0 O A:HOH481 2.7 13.9 1.0 O A:HOH668 2.7 43.5 1.0 CD A:GLU2 3.5 15.9 1.0 OE2 A:GLU2 3.8 17.1 1.0 HA A:GLU2 4.1 13.2 1.0 H A:ARG3 4.3 12.2 1.0 O A:HOH612 4.3 16.0 1.0 O A:HOH693 4.5 21.4 1.0 CG A:GLU2 4.7 12.8 1.0 HB3 A:GLU2 4.8 12.8 1.0 HG2 A:GLU2 4.9 15.4 1.0 CA A:GLU2 5.0 11.0 1.0 O A:HOH444 5.0 41.5 1.0

A.Kaplan, S.A.Andrei, C.Ottmann, A.E.Fournier. A Single-Agent Polypharmacological Approach to Stimulate Axon Regeneration To Be Published.