Fluorine in PDB 7m5z: Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692

All present enzymatic activity of Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692:
2.7.10.1;

The structure of Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692, PDB code: 7m5z was solved by S.J.Hermans, N.C.Hancock, J.B.Baell, M.W.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.12 / 3.06
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.203, 91.272, 100.804, 90, 90, 90
R / Rfree (%)	26.3 / 29.7

The binding sites of Fluorine atom in the Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692 (pdb code 7m5z). 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 the Mertk Kinase Domain in Complex with Inhibitor MIPS15692, PDB code: 7m5z:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692


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 the Mertk Kinase Domain in Complex with Inhibitor MIPS15692 within 5.0Å range: probe atom residue distance (Å) B Occ A:F901 b:86.4 occ:1.00 F20 A:YR7901 0.0 86.4 1.0 C19 A:YR7901 1.4 81.8 1.0 C18 A:YR7901 2.3 70.3 1.0 C17 A:YR7901 2.7 74.8 1.0 N16 A:YR7901 3.8 81.5 1.0 C15 A:YR7901 4.2 89.0 1.0 C14 A:YR7901 4.8 85.5 1.0 C21 A:YR7901 4.9 78.0 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Mertk Kinase Domain in Complex with Inhibitor MIPS15692


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 the Mertk Kinase Domain in Complex with Inhibitor MIPS15692 within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:79.2 occ:1.00 F20 B:YR7901 0.0 79.2 1.0 C19 B:YR7901 1.4 72.2 1.0 C18 B:YR7901 2.4 68.4 1.0 C17 B:YR7901 2.9 71.6 1.0 N16 B:YR7901 3.1 70.9 1.0 C15 B:YR7901 3.2 76.3 1.0 C14 B:YR7901 4.0 76.1 1.0 C21 B:YR7901 4.5 66.4 1.0

S.W.Wong, L.Vivash, R.Mudududdla, N.Nguyen, S.J.Hermans, D.M.Shackleford, J.Field, L.Xue, A.Aprico, N.C.Hancock, M.Haskali, M.A.Stashko, S.V.Frye, X.Wang, M.D.Binder, U.Ackermann, M.W.Parker, T.J.Kilpatrick, J.B.Baell. Development of [ 18 F]MIPS15692, A Radiotracer with in Vitro Proof-of-Concept For the Imaging of Mer Tyrosine Kinase (Mertk) in Neuroinflammatory Disease. Eur.J.Med.Chem. V. 226 13822 2021.
ISSN: ISSN 0223-5234
PubMed: 34563964
DOI: 10.1016/J.EJMECH.2021.113822