Fluorine in PDB 7oam: Kinase Domain of Mertk in Complex with Compound 8

All present enzymatic activity of Kinase Domain of Mertk in Complex with Compound 8:
2.7.10.1;

The structure of Kinase Domain of Mertk in Complex with Compound 8, PDB code: 7oam was solved by M.Schroeder, N.Russ, 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)	45.66 / 2.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	51.487, 91.315, 69.68, 90, 100.78, 90
R / Rfree (%)	22.2 / 25.7

The binding sites of Fluorine atom in the Kinase Domain of Mertk in Complex with Compound 8 (pdb code 7oam). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Kinase Domain of Mertk in Complex with Compound 8, PDB code: 7oam:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Kinase Domain of Mertk in Complex with Compound 8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Kinase Domain of Mertk in Complex with Compound 8 within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:62.0 occ:1.00 F1 B:V6H901 0.0 62.0 1.0 C17 B:V6H901 1.3 62.3 1.0 C16 B:V6H901 2.3 68.2 1.0 C12 B:V6H901 2.3 61.0 1.0 C11 B:V6H901 2.8 60.4 1.0 CG1 B:VAL601 3.4 48.7 1.0 CD1 B:LEU671 3.4 47.7 1.0 CG2 B:VAL601 3.6 51.9 1.0 C15 B:V6H901 3.6 69.7 1.0 C13 B:V6H901 3.6 62.3 1.0 N4 B:V6H901 4.0 58.0 1.0 C14 B:V6H901 4.0 66.6 1.0 N3 B:V6H901 4.1 58.5 1.0 CB B:VAL601 4.1 50.9 1.0 CB B:ALA617 4.3 41.2 1.0 CB B:LYS619 4.4 51.9 1.0 C10 B:V6H901 4.5 54.3 1.0 C22 B:V6H901 4.5 69.6 1.0 CG B:LEU671 4.6 46.3 1.0 CB B:LEU671 4.7 43.8 1.0 N B:LYS619 4.7 48.0 1.0 C23 B:V6H901 4.9 68.7 1.0 CA B:LYS619 4.9 51.7 1.0 C18 B:V6H901 5.0 61.9 1.0

Fluorine binding site 2 out of 2 in the Kinase Domain of Mertk in Complex with Compound 8


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Kinase Domain of Mertk in Complex with Compound 8 within 5.0Å range: probe atom residue distance (Å) B Occ B:F901 b:76.3 occ:1.00 F B:V6H901 0.0 76.3 1.0 C14 B:V6H901 1.4 66.6 1.0 C15 B:V6H901 2.3 69.7 1.0 C13 B:V6H901 2.3 62.3 1.0 CG B:MET730 2.8 49.1 1.0 CB B:ALA740 2.8 50.6 1.0 SD B:MET730 3.1 49.6 1.0 O B:HOH1022 3.4 40.0 1.0 C16 B:V6H901 3.6 68.2 1.0 C12 B:V6H901 3.6 61.0 1.0 C17 B:V6H901 4.0 62.3 1.0 O B:ASN728 4.2 52.7 1.0 CB B:MET730 4.3 49.6 1.0 CA B:ALA740 4.3 49.4 1.0 CE B:MET730 4.4 50.1 1.0 CD1 B:ILE650 4.5 44.6 1.0 OD2 B:ASP741 4.5 61.8 1.0 C23 B:V6H901 4.6 68.7 1.0 C B:ASN728 4.6 47.6 1.0 CG B:ASP741 4.8 59.1 1.0 C B:ALA740 4.8 51.6 1.0 C11 B:V6H901 4.9 60.4 1.0 N B:ASP741 4.9 53.9 1.0 N B:ALA740 4.9 47.0 1.0 N B:MET730 4.9 45.0 1.0 OD1 B:ASP741 4.9 61.0 1.0

M.Schroeder, N.Russ, S.Knapp. Kinase Domain of Mertk in Complex with Compound 8 To Be Published.