Fluorine in PDB 5ew9: Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108

All present enzymatic activity of Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108:
2.7.11.1;

The structure of Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108, PDB code: 5ew9 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)	33.25 / 2.18
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.851, 65.327, 77.267, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.7

The structure of Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108 (pdb code 5ew9). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108, PDB code: 5ew9:

Fluorine binding site 1 out of 1 in the Crystal Structure of Aurora A Kinase Domain Bound to Mk-5108


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 Aurora A Kinase Domain Bound to Mk-5108 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1000 b:29.9 occ:1.00 F30 A:5VC1000 0.0 29.9 1.0 C25 A:5VC1000 1.3 23.3 1.0 C26 A:5VC1000 2.3 26.1 1.0 C24 A:5VC1000 2.4 28.9 1.0 O23 A:5VC1000 2.7 30.5 1.0 CL3 A:5VC1000 2.8 32.2 1.0 C20 A:5VC1000 3.5 30.8 1.0 C27 A:5VC1000 3.6 25.1 1.0 C29 A:5VC1000 3.6 26.3 1.0 CD A:LYS162 3.7 41.3 1.0 S19 A:5VC1000 3.7 26.3 1.0 C4 A:5VC1000 3.9 34.8 1.0 C5 A:5VC1000 3.9 35.5 1.0 CG1 A:VAL147 4.0 28.4 1.0 CB A:VAL147 4.0 34.4 1.0 CG2 A:VAL147 4.1 26.1 1.0 C28 A:5VC1000 4.1 24.1 1.0 NZ A:LYS162 4.4 49.6 1.0 CE A:LYS162 4.6 47.6 1.0 CH2 A:TRP277 4.6 35.9 1.0 CG A:LYS162 4.6 29.9 1.0 CB A:LYS162 4.7 26.2 1.0 C3 A:5VC1000 4.7 33.7 1.0 CD1 A:LEU210 4.8 24.3 1.0 C21 A:5VC1000 4.9 28.9 1.0 CZ2 A:TRP277 4.9 39.6 1.0 CD1 A:LEU263 5.0 23.8 1.0

C.O.De Groot, J.E.Hsia, J.V.Anzola, A.Motamedi, M.Yoon, Y.L.Wong, D.Jenkins, H.J.Lee, M.B.Martinez, R.L.Davis, T.C.Gahman, A.Desai, A.K.Shiau. A Cell Biologist'S Field Guide to Aurora Kinase Inhibitors. Front Oncol V. 5 285 2015.
ISSN: ISSN 2234-943X
PubMed: 26732741
DOI: 10.3389/FONC.2015.00285