Potassium in PDB 5u06: GRB7-SH2 with Bicyclic Peptide Inhibitor Containing A Py Mimetic

The structure of GRB7-SH2 with Bicyclic Peptide Inhibitor Containing A Py Mimetic, PDB code: 5u06 was solved by G.M.Watson, J.A.Wilce, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.74 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.980, 109.741, 48.330, 90.00, 103.44, 90.00
R / Rfree (%)	20.6 / 25.3

The binding sites of Potassium atom in the GRB7-SH2 with Bicyclic Peptide Inhibitor Containing A Py Mimetic (pdb code 5u06). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total only one binding site of Potassium was determined in the GRB7-SH2 with Bicyclic Peptide Inhibitor Containing A Py Mimetic, PDB code: 5u06:

Potassium binding site 1 out of 1 in the GRB7-SH2 with Bicyclic Peptide Inhibitor Containing A Py Mimetic


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of GRB7-SH2 with Bicyclic Peptide Inhibitor Containing A Py Mimetic within 5.0Å range: probe atom residue distance (Å) B Occ B:K601 b:78.3 occ:1.00 O B:HOH718 2.8 18.4 1.0 OE1 B:GLU439 2.9 22.7 1.0 CD B:GLU439 3.5 26.8 1.0 OE2 B:GLU439 3.5 29.4 1.0 OE1 B:GLN461 4.0 16.7 1.0 CB B:SER437 4.4 16.7 1.0 N B:ARG438 4.5 9.1 1.0 O M:HOH102 4.6 14.1 1.0 O M:HOH105 4.8 22.5 1.0 CB B:ARG438 4.9 11.6 1.0 CG B:GLU439 4.9 20.2 1.0

G.M.Watson, K.Kulkarni, J.Sang, X.Ma, M.J.Gunzburg, P.Perlmutter, M.C.J.Wilce, J.A.Wilce. Discovery, Development, and Cellular Delivery of Potent and Selective Bicyclic Peptide Inhibitors of GRB7 Cancer Target. J. Med. Chem. V. 60 9349 2017.
ISSN: ISSN 1520-4804
PubMed: 29083893
DOI: 10.1021/ACS.JMEDCHEM.7B01320