Fluorine in PDB 8jn9: Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci- 8

All present enzymatic activity of Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci- 8:
2.7.10.2;

The structure of Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci- 8, PDB code: 8jn9 was solved by H.M.Zhang, C.Luo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.04 / 2.72
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.012, 83.11, 106.861, 90, 90, 90
R / Rfree (%)	19.9 / 27.9

The binding sites of Fluorine atom in the Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci- 8 (pdb code 8jn9). 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 C-Src in Complex with Covalent Inhibitor Lw-Srci- 8, PDB code: 8jn9:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci- 8


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 C-Src in Complex with Covalent Inhibitor Lw-Srci- 8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:69.0 occ:1.00 F07 A:UJ0601 0.0 69.0 1.0 C01 A:UJ0601 1.4 67.3 1.0 C06 A:UJ0601 2.4 63.8 1.0 C02 A:UJ0601 2.4 73.7 1.0 CD2 A:LEU410 3.1 60.7 1.0 N A:ALA411 3.2 52.2 1.0 CA A:ALA411 3.2 52.0 1.0 CB A:LEU410 3.3 50.9 1.0 CG A:LEU410 3.3 60.3 1.0 C A:LEU410 3.4 54.1 1.0 C05 A:UJ0601 3.6 66.7 1.0 C03 A:UJ0601 3.7 73.2 1.0 CB A:ALA411 3.7 55.3 1.0 O A:LEU410 3.9 57.4 1.0 CA A:LEU410 4.0 49.6 1.0 CG2 A:ILE414 4.0 52.6 1.0 C04 A:UJ0601 4.2 67.5 1.0 C24 A:UJ0601 4.4 68.4 1.0 C A:ALA411 4.6 53.0 1.0 F08 A:UJ0601 4.7 60.7 1.0 CD1 A:LEU410 4.8 56.1 1.0 N A:LEU410 4.9 54.3 1.0 C09 A:UJ0601 5.0 71.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci- 8


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 C-Src in Complex with Covalent Inhibitor Lw-Srci- 8 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:60.7 occ:1.00 F08 A:UJ0601 0.0 60.7 1.0 C05 A:UJ0601 1.4 66.7 1.0 C06 A:UJ0601 2.4 63.8 1.0 C04 A:UJ0601 2.4 67.5 1.0 ND2 A:ASN394 2.8 49.1 1.0 CG A:ASN394 2.8 46.9 1.0 OD1 A:ASN394 3.0 52.8 1.0 CB A:ASP407 3.1 46.7 1.0 O A:ASP407 3.4 45.5 1.0 C01 A:UJ0601 3.6 67.3 1.0 CB A:ASN394 3.7 43.2 1.0 C03 A:UJ0601 3.7 73.2 1.0 OD2 A:ASP407 3.9 57.9 1.0 CG A:ASP407 4.0 53.2 1.0 C A:ASP407 4.1 46.1 1.0 CB A:ASP389 4.1 44.3 1.0 C02 A:UJ0601 4.2 73.7 1.0 CE1 A:HIS387 4.2 40.4 1.0 OD2 A:ASP389 4.2 53.0 1.0 CA A:ASP407 4.2 46.1 1.0 O A:ASP389 4.2 48.5 1.0 O A:ALA406 4.4 43.4 1.0 CG A:ASP389 4.5 50.5 1.0 F07 A:UJ0601 4.7 69.0 1.0 NE2 A:HIS387 4.9 42.1 1.0 C09 A:UJ0601 5.0 71.5 1.0 C A:ALA406 5.0 47.4 1.0 N A:ASP407 5.0 50.3 1.0

H.M.Zhang, C.Luo. The Crystal Structure of C-Src in Complex with Covalent Inhibitor Lw-Srci-8 To Be Published.