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

Protein crystallography data

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

Potassium Binding Sites:

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 5u06

Go back to Potassium Binding Sites List in 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

Reference:

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
Page generated: Mon Dec 14 00:08:00 2020

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