Sodium in PDB 5n87: Ttk Kinase Domain in Complex with Ntrc 0066-0

All present enzymatic activity of Ttk Kinase Domain in Complex with Ntrc 0066-0:
2.7.12.1;

The structure of Ttk Kinase Domain in Complex with Ntrc 0066-0, PDB code: 5n87 was solved by J.Uitdehaag, N.Willemsen-Seegers, J.G.Sterrenburg, J.De Man, R.C.Buijsman, G.J.R.Zaman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.34 / 2.29
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.090, 112.230, 113.980, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23.8

The binding sites of Sodium atom in the Ttk Kinase Domain in Complex with Ntrc 0066-0 (pdb code 5n87). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Ttk Kinase Domain in Complex with Ntrc 0066-0, PDB code: 5n87:

Sodium binding site 1 out of 1 in the Ttk Kinase Domain in Complex with Ntrc 0066-0


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ttk Kinase Domain in Complex with Ntrc 0066-0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na903 b:64.5 occ:1.00 OD2 A:ASP664 2.6 57.7 1.0 O A:HOH1036 2.6 67.9 1.0 OE1 A:GLU571 2.7 52.1 1.0 O A:HOH1048 2.8 69.8 1.0 O A:HOH1066 3.1 0.1 1.0 CD A:GLU571 3.4 54.0 1.0 OE2 A:GLU571 3.5 61.1 1.0 CG A:ASP664 3.5 52.7 1.0 N A:GLY666 3.7 47.3 1.0 CB A:ASP664 3.7 51.5 1.0 N A:ALA668 3.9 53.2 1.0 CA A:GLY666 3.9 48.4 1.0 N A:ILE667 3.9 51.5 1.0 O A:ALA668 4.0 62.4 1.0 CB A:ALA668 4.0 57.4 1.0 C A:GLY666 4.2 52.0 1.0 CA A:ALA668 4.4 58.9 1.0 N A:PHE665 4.4 45.3 1.0 CAZ A:N66901 4.6 76.1 1.0 CBA A:N66901 4.6 76.7 1.0 C A:ALA668 4.6 63.2 1.0 CG A:GLU571 4.7 54.1 1.0 OD1 A:ASP664 4.7 49.3 1.0 C A:ILE667 4.7 53.9 1.0 C A:PHE665 4.8 46.6 1.0 CA A:ILE667 4.9 52.5 1.0 CA A:ASP664 4.9 50.4 1.0

J.C.M.Uitdehaag, J.De Man, N.Willemsen-Seegers, M.B.W.Prinsen, M.A.A.Libouban, J.G.Sterrenburg, J.J.P.De Wit, J.R.F.De Vetter, J.A.D.M.De Roos, R.C.Buijsman, G.J.R.Zaman. Target Residence Time-Guided Optimization on Ttk Kinase Results in Inhibitors with Potent Anti-Proliferative Activity. J. Mol. Biol. V. 429 2211 2017.
ISSN: ESSN 1089-8638
PubMed: 28539250
DOI: 10.1016/J.JMB.2017.05.014