Fluorine in PDB 4yur: Crystal Structure of PLK4 Kinase Domain Bound to Centrinone

All present enzymatic activity of Crystal Structure of PLK4 Kinase Domain Bound to Centrinone:
2.7.11.21;

The structure of Crystal Structure of PLK4 Kinase Domain Bound to Centrinone, PDB code: 4yur was solved by A.K.Shiau, A.Motamedi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.90 / 2.65
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	125.805, 125.805, 125.805, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 27

The binding sites of Fluorine atom in the Crystal Structure of PLK4 Kinase Domain Bound to Centrinone (pdb code 4yur). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of PLK4 Kinase Domain Bound to Centrinone, PDB code: 4yur:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of PLK4 Kinase Domain Bound to Centrinone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of PLK4 Kinase Domain Bound to Centrinone within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:63.8 occ:1.00 F14 A:4J71000 0.0 63.8 1.0 C9 A:4J71000 1.3 54.7 1.0 C8 A:4J71000 2.3 55.0 1.0 C10 A:4J71000 2.3 40.3 1.0 S7 A:4J71000 2.9 47.4 1.0 N A:GLY19 3.2 43.5 1.0 CA A:GLY19 3.3 44.2 1.0 C A:LEU18 3.3 44.1 1.0 O A:LEU18 3.5 52.7 1.0 CB A:LEU18 3.6 38.2 1.0 C11 A:4J71000 3.6 34.6 1.0 C13 A:4J71000 3.6 47.5 1.0 CB A:VAL26 4.0 29.9 1.0 C2 A:4J71000 4.0 35.0 1.0 C12 A:4J71000 4.1 39.2 1.0 CA A:LEU18 4.1 44.4 1.0 C A:GLY19 4.3 45.6 1.0 N3 A:4J71000 4.3 33.2 1.0 CG1 A:VAL26 4.3 28.8 1.0 C24 A:4J71000 4.4 76.0 1.0 CG2 A:VAL26 4.6 26.6 1.0 O A:GLY19 4.6 44.4 1.0 O A:VAL26 4.8 43.2 1.0 CG A:LEU18 4.9 38.5 1.0 N A:LEU18 5.0 57.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of PLK4 Kinase Domain Bound to Centrinone


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of PLK4 Kinase Domain Bound to Centrinone within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:95.7 occ:1.00 F25 A:4J71000 0.0 95.7 1.0 C20 A:4J71000 1.3 87.8 1.0 C19 A:4J71000 2.4 76.5 1.0 C21 A:4J71000 2.4 87.4 1.0 O28 A:4J71000 2.7 90.0 1.0 N26 A:4J71000 2.8 90.2 1.0 C18 A:4J71000 2.8 67.3 1.0 C24 A:4J71000 3.6 76.0 1.0 C22 A:4J71000 3.7 80.6 1.0 NZ A:LYS41 3.7 50.0 1.0 O27 A:4J71000 3.9 90.7 1.0 S15 A:4J71000 4.0 45.2 1.0 CB A:ASP154 4.0 63.3 1.0 O17 A:4J71000 4.0 39.1 1.0 C23 A:4J71000 4.1 74.6 1.0 CE A:LYS41 4.5 43.9 1.0 O16 A:4J71000 4.5 45.4 1.0 CA A:ASP154 4.9 62.5 1.0

Y.L.Wong, J.V.Anzola, R.L.Davis, M.Yoon, A.Motamedi, A.Kroll, C.P.Seo, J.E.Hsia, S.K.Kim, J.W.Mitchell, B.J.Mitchell, A.Desai, T.C.Gahman, A.K.Shiau, K.Oegema. Cell Biology. Reversible Centriole Depletion with An Inhibitor of Polo-Like Kinase 4. Science V. 348 1155 2015.
ISSN: ESSN 1095-9203
PubMed: 25931445
DOI: 10.1126/SCIENCE.AAA5111