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Potassium in PDB 6cz3: Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone

Enzymatic activity of Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone

All present enzymatic activity of Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone:
2.7.10.2;

Protein crystallography data

The structure of Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone, PDB code: 6cz3 was solved by K.S.Gajiwala, E.Johnson, C.N.Cronin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 38.61 / 1.80
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 107.910, 107.910, 84.794, 90.00, 90.00, 120.00
R / Rfree (%) 38 / 21.3

Other elements in 6cz3:

The structure of Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone also contains other interesting chemical elements:

Fluorine (F) 1 atom

Potassium Binding Sites:

The binding sites of Potassium atom in the Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone (pdb code 6cz3). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone, PDB code: 6cz3:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 6cz3

Go back to Potassium Binding Sites List in 6cz3
Potassium binding site 1 out of 2 in the Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K9009

b:72.7
occ:1.00
 OG1 A:THR192 3.2 41.9 1.0
O A:PHE191 3.3 35.0 1.0
O A:GLU189 3.7 39.1 1.0
O A:HOH9157 3.9 40.0 1.0
O A:HOH9126 4.0 33.9 1.0
C A:PHE191 4.0 35.7 1.0
CB A:THR192 4.3 38.9 1.0
CA A:THR192 4.3 38.8 1.0
O A:HOH9187 4.4 41.0 1.0
N A:THR192 4.4 35.8 1.0
C A:GLU189 4.7 38.0 1.0
OD1 A:ASP212 4.8 39.7 1.0
N A:PHE191 4.8 34.6 1.0
CG2 A:THR192 5.0 41.6 1.0

Potassium binding site 2 out of 2 in 6cz3

Go back to Potassium Binding Sites List in 6cz3
Potassium binding site 2 out of 2 in the Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Structure of the PTK6 Kinase Domain Bound to A Type I Inhibitor (3- Fluoro-4-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8- Yl]Amino}Phenyl)(Morpholin-4-Yl)Methanone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K9010

b:74.3
occ:1.00
 O A:ARG223 3.2 35.3 1.0
O A:LEU226 3.2 34.9 1.0
O A:ACT9002 3.4 64.3 1.0
O A:ASP224 3.9 41.1 1.0
CA A:ASP224 4.1 41.1 1.0
C A:ASP224 4.1 40.5 1.0
C A:ACT9002 4.2 65.1 1.0
O A:HOH9171 4.2 45.8 1.0
C A:ARG223 4.2 36.4 1.0
CH3 A:ACT9002 4.2 64.3 1.0
C A:LEU226 4.4 36.1 1.0
NZ A:LYS338 4.5 47.6 1.0
N A:LEU226 4.6 33.8 1.0
N A:ASP224 4.6 38.0 1.0
CA A:LEU226 4.9 34.9 1.0
CB A:LEU226 4.9 35.4 1.0
N A:ASN225 4.9 36.5 1.0
CE A:LYS338 4.9 47.3 1.0

Reference:

L.Qiu, K.Levine, K.S.Gajiwala, C.N.Cronin, A.Nagata, E.Johnson, M.Kraus, J.Tatlock, R.Kania, T.Foley, S.Sun. Small Molecule Inhibitors Reveal PTK6 Kinase Is Not An Oncogenic Driver in Breast Cancers. Plos One V. 13 98374 2018.
ISSN: ESSN 1932-6203
PubMed: 29879184
DOI: 10.1371/JOURNAL.PONE.0198374
Page generated: Mon Aug 12 15:42:36 2024

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