Potassium in PDB 6q8p: Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine

All present enzymatic activity of Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine:
2.7.12.1;

The structure of Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine, PDB code: 6q8p was solved by A.C.Joerger, D.Chatterjee, M.Schroeder, H.Tazarki, W.Zeinyeh, Y.J.Esvan, J.Khiari, B.Josselin, B.Baratte, S.Bach, S.Ruchaud, F.Anizon, F.Giraud, P.Moreau, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.39 / 3.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.791, 117.553, 91.911, 90.00, 99.00, 90.00
R / Rfree (%)	19.8 / 24.4

The binding sites of Potassium atom in the Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine (pdb code 6q8p). 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 Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine, PDB code: 6q8p:

Potassium binding site 1 out of 1 in the Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of CLK1 with Bound N-Methyl-10-Nitropyrido[3,4-G]Quinazolin- 2-Amine within 5.0Å range: probe atom residue distance (Å) B Occ A:K502 b:36.0 occ:1.00 OG1 A:THR338 2.9 54.6 1.0 NE2 B:HIS335 3.4 53.8 1.0 OG1 B:THR338 3.6 57.6 1.0 N A:THR338 3.8 45.8 1.0 CE1 B:HIS335 3.8 50.8 1.0 CB A:THR338 4.0 45.2 1.0 N B:THR338 4.1 46.0 1.0 CG2 B:THR338 4.2 41.7 1.0 CA A:SER337 4.4 41.0 1.0 CB B:THR338 4.4 48.5 1.0 CE1 A:HIS335 4.5 40.7 1.0 CA A:THR338 4.5 43.8 1.0 CB A:SER337 4.5 45.0 1.0 C A:SER337 4.6 40.4 1.0 CD2 B:HIS335 4.6 50.3 1.0 NE2 A:HIS335 4.7 38.6 1.0 CA B:SER337 4.8 47.2 1.0 CA B:THR338 4.9 50.1 1.0 C B:SER337 5.0 45.2 1.0

H.Tazarki, W.Zeinyeh, Y.J.Esvan, S.Knapp, D.Chatterjee, M.Schroder, A.C.Joerger, J.Khiari, B.Josselin, B.Baratte, S.Bach, S.Ruchaud, F.Anizon, F.Giraud, P.Moreau. New Pyrido[3,4-G]Quinazoline Derivatives As CLK1 and DYRK1A Inhibitors: Synthesis, Biological Evaluation and Binding Mode Analysis. Eur J Med Chem V. 166 304 2019.
ISSN: ISSN 1768-3254
PubMed: 30731399
DOI: 10.1016/J.EJMECH.2019.01.052