Sodium in PDB 7tvf: Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom

All present enzymatic activity of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom:
3.1.3.16; 3.6.5.2;

The structure of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom, PDB code: 7tvf was solved by D.A.Bonsor, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	101.70 / 2.17
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	129.938, 129.938, 326.795, 90, 90, 90
R / Rfree (%)	19.9 / 22.6

The structure of Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom also contains other interesting chemical elements:

Chlorine	(Cl)	5 atoms
Manganese	(Mn)	4 atoms
Magnesium	(Mg)	2 atoms

The binding sites of Sodium atom in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom (pdb code 7tvf). 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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom, PDB code: 7tvf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ F:Na407 b:73.5 occ:1.00 O F:HOH612 2.5 77.1 1.0 CD F:LYS41 3.4 55.4 0.5 CD F:LYS41 3.8 54.6 0.5 OE1 F:GLU44 3.9 60.8 1.0 CE F:LYS41 4.2 54.3 0.5 OE2 F:GLU44 4.3 75.4 1.0 CD F:GLU44 4.5 75.7 1.0 CG F:LYS41 4.6 48.7 0.5 CG F:LYS41 4.7 48.7 0.5 CE F:LYS41 4.7 53.0 0.5 CB F:LYS41 4.7 44.2 0.5 CB F:LYS41 4.7 44.1 0.5

Sodium binding site 2 out of 2 in the Crystal Structure of the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom


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 the SHOC2-Mras-PP1CA (Smp) Complex to A Resolution of 2.17 Angstrom within 5.0Å range: probe atom residue distance (Å) B Occ E:Na1206 b:55.5 occ:1.00 O E:HOH1314 2.7 42.4 1.0 O F:HOH616 3.1 43.7 1.0 O F:HOH561 3.3 38.5 1.0 O F:HOH603 3.7 38.0 1.0 CB E:PHE34 3.8 40.4 1.0 O E:PHE34 3.9 49.2 1.0 O F:HOH585 4.0 39.8 1.0 C E:PHE34 4.1 47.3 1.0 CB F:LEU200 4.2 34.5 1.0 CD2 F:LEU200 4.4 39.2 1.0 CD2 E:PHE34 4.4 38.3 1.0 O E:HOH1316 4.5 43.1 1.0 CA E:PHE34 4.5 46.8 1.0 O E:HOH1351 4.6 47.2 1.0 CG E:PHE34 4.6 43.1 1.0 N E:GLN35 4.6 46.0 1.0 O E:HOH1344 4.6 61.7 1.0 CA E:GLN35 4.8 51.0 1.0 CG F:LEU200 4.9 37.0 1.0 N F:LEU200 4.9 37.9 1.0 CG1 F:ILE189 5.0 36.4 1.0 CB E:GLN35 5.0 45.7 1.0

D.A.Bonsor, P.Alexander, K.Snead, N.Hartig, M.Drew, S.Messing, L.I.Finci, D.V.Nissley, F.Mccormick, D.Esposito, P.Rodriguez-Viciana, A.G.Stephen, D.K.Simanshu. Structure of the SHOC2-Mras-PP1C Complex Provides Insights Into Raf Activation and Noonan Syndrome. Nat.Struct.Mol.Biol. V. 29 966 2022.
ISSN: ESSN 1545-9985
PubMed: 36175670
DOI: 10.1038/S41594-022-00841-4