Fluorine in PDB 8s0t: Cryo-Em Structure of Cak in Complex with Sy-5609

All present enzymatic activity of Cryo-Em Structure of Cak in Complex with Sy-5609:
2.7.11.22; 2.7.11.23;

The binding sites of Fluorine atom in the Cryo-Em Structure of Cak in Complex with Sy-5609 (pdb code 8s0t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of Cak in Complex with Sy-5609, PDB code: 8s0t:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Cak in Complex with Sy-5609


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Cak in Complex with Sy-5609 within 5.0Å range: probe atom residue distance (Å) B Occ J:F401 b:28.3 occ:1.00 F32 J:YNK401 0.0 28.3 1.0 C31 J:YNK401 1.3 28.3 1.0 F34 J:YNK401 2.1 28.3 1.0 F33 J:YNK401 2.1 28.3 1.0 C13 J:YNK401 2.4 28.3 1.0 H53 J:YNK401 2.8 28.3 1.0 HE3 J:LYS41 2.9 31.1 1.0 C17 J:YNK401 3.0 28.3 1.0 C14 J:YNK401 3.0 28.3 1.0 C16 J:YNK401 3.1 28.3 1.0 HE2 J:LYS41 3.4 31.1 1.0 HB1 J:ALA39 3.4 30.9 1.0 HD1 J:PHE91 3.5 28.7 1.0 H1 J:HOH551 3.5 28.4 1.0 HZ1 J:LYS41 3.5 31.1 1.0 C12 J:YNK401 3.5 28.3 1.0 HG11 J:VAL26 3.6 30.5 1.0 CE J:LYS41 3.6 31.1 1.0 CD1 J:PHE91 3.6 28.7 1.0 HB3 J:ALA39 3.7 30.9 1.0 O J:HOH551 3.7 28.4 1.0 HB2 J:PHE91 3.7 28.7 1.0 HG13 J:VAL26 3.8 30.5 1.0 H52 J:YNK401 3.8 28.3 1.0 HB2 J:LYS41 3.9 31.1 1.0 N18 J:YNK401 4.0 28.3 1.0 CG J:PHE91 4.0 28.7 1.0 CB J:ALA39 4.1 30.9 1.0 H2 J:HOH551 4.1 28.4 1.0 HG21 J:VAL26 4.1 30.5 1.0 NZ J:LYS41 4.1 31.1 1.0 CE1 J:PHE91 4.1 28.7 1.0 CG1 J:VAL26 4.2 30.5 1.0 C26 J:YNK401 4.3 28.3 1.0 HD11 J:LEU144 4.3 26.5 1.0 N15 J:YNK401 4.3 28.3 1.0 CB J:PHE91 4.3 28.7 1.0 HE1 J:PHE91 4.3 28.7 1.0 HB3 J:PHE91 4.5 28.7 1.0 HD13 J:LEU144 4.5 26.5 1.0 OD1 J:ASP155 4.5 26.5 1.0 H38 J:YNK401 4.5 28.3 1.0 HG12 J:ILE75 4.6 25.9 1.0 HB2 J:ALA39 4.6 30.9 1.0 HZ2 J:LYS41 4.6 31.1 1.0 HG22 J:VAL26 4.6 30.5 1.0 C19 J:YNK401 4.7 28.3 1.0 N11 J:YNK401 4.7 28.3 1.0 CG2 J:VAL26 4.8 30.5 1.0 CD1 J:LEU144 4.8 26.5 1.0 HZ3 J:LYS41 4.8 31.1 1.0 HB1 J:ALA154 4.9 25.5 1.0 O J:ALA39 4.9 30.9 1.0 CD2 J:PHE91 4.9 28.7 1.0 HG12 J:VAL26 4.9 30.5 1.0 CZ J:PHE91 4.9 28.7 1.0 CB J:LYS41 4.9 31.1 1.0 HD12 J:LEU144 5.0 26.5 1.0 C10 J:YNK401 5.0 28.3 1.0 CD J:LYS41 5.0 31.1 1.0

Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Cak in Complex with Sy-5609


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Cak in Complex with Sy-5609 within 5.0Å range: probe atom residue distance (Å) B Occ J:F401 b:28.3 occ:1.00 F33 J:YNK401 0.0 28.3 1.0 C31 J:YNK401 1.3 28.3 1.0 F34 J:YNK401 2.1 28.3 1.0 F32 J:YNK401 2.1 28.3 1.0 C13 J:YNK401 2.3 28.3 1.0 H52 J:YNK401 2.4 28.3 1.0 HB2 J:PHE91 2.4 28.7 1.0 C12 J:YNK401 2.7 28.3 1.0 HB3 J:ALA39 2.7 30.9 1.0 HB3 J:PHE91 2.8 28.7 1.0 CB J:PHE91 3.0 28.7 1.0 HD11 J:ILE75 3.3 25.9 1.0 HG12 J:ILE75 3.3 25.9 1.0 O J:ASP92 3.3 31.6 1.0 CG J:PHE91 3.3 28.7 1.0 HB1 J:ALA39 3.5 30.9 1.0 CB J:ALA39 3.6 30.9 1.0 HD1 J:PHE91 3.6 28.7 1.0 C14 J:YNK401 3.6 28.3 1.0 CD1 J:PHE91 3.7 28.7 1.0 HD13 J:LEU144 3.9 26.5 1.0 HB2 J:ALA39 3.9 30.9 1.0 N11 J:YNK401 4.0 28.3 1.0 CG1 J:ILE75 4.1 25.9 1.0 O J:HOH551 4.1 28.4 1.0 H53 J:YNK401 4.1 28.3 1.0 CD1 J:ILE75 4.1 25.9 1.0 HG2 J:MET94 4.1 29.2 1.0 HD12 J:LEU144 4.1 26.5 1.0 HG13 J:ILE75 4.1 25.9 1.0 CD2 J:PHE91 4.2 28.7 1.0 HD11 J:LEU144 4.3 26.5 1.0 H1 J:HOH551 4.3 28.4 1.0 CD1 J:LEU144 4.4 26.5 1.0 CA J:PHE91 4.4 28.7 1.0 C J:ASP92 4.4 31.6 1.0 HA J:PHE93 4.4 31.2 1.0 C16 J:YNK401 4.4 28.3 1.0 HD2 J:PHE91 4.5 28.7 1.0 C17 J:YNK401 4.5 28.3 1.0 H2 J:HOH551 4.6 28.4 1.0 C J:PHE91 4.6 28.7 1.0 HG3 J:MET94 4.6 29.2 1.0 O J:ALA39 4.6 30.9 1.0 HE3 J:LYS41 4.6 31.1 1.0 CE1 J:PHE91 4.6 28.7 1.0 HB1 J:ALA154 4.7 25.5 1.0 N15 J:YNK401 4.7 28.3 1.0 HD13 J:ILE75 4.7 25.9 1.0 N J:ASP92 4.8 31.6 1.0 H J:ASP92 4.8 31.6 1.0 C10 J:YNK401 4.8 28.3 1.0 HD12 J:ILE75 4.8 25.9 1.0 CA J:ALA39 4.8 30.9 1.0 H J:PHE91 4.9 28.7 1.0 O J:PHE91 4.9 28.7 1.0 H J:MET94 4.9 29.2 1.0 CG J:MET94 4.9 29.2 1.0 H J:ALA39 4.9 30.9 1.0

Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Cak in Complex with Sy-5609


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Cak in Complex with Sy-5609 within 5.0Å range: probe atom residue distance (Å) B Occ J:F401 b:28.3 occ:1.00 F34 J:YNK401 0.0 28.3 1.0 C31 J:YNK401 1.3 28.3 1.0 F33 J:YNK401 2.1 28.3 1.0 F32 J:YNK401 2.1 28.3 1.0 H53 J:YNK401 2.3 28.3 1.0 C13 J:YNK401 2.3 28.3 1.0 HD11 J:LEU144 2.5 26.5 1.0 H1 J:HOH551 2.8 28.4 1.0 O J:HOH551 2.8 28.4 1.0 HB1 J:ALA154 2.9 25.5 1.0 HD12 J:LEU144 2.9 26.5 1.0 HD13 J:LEU144 2.9 26.5 1.0 CD1 J:LEU144 3.0 26.5 1.0 C17 J:YNK401 3.0 28.3 1.0 HG12 J:ILE75 3.1 25.9 1.0 C14 J:YNK401 3.1 28.3 1.0 C12 J:YNK401 3.3 28.3 1.0 C16 J:YNK401 3.5 28.3 1.0 H52 J:YNK401 3.5 28.3 1.0 H2 J:HOH551 3.6 28.4 1.0 OD1 J:ASP155 3.9 26.5 1.0 HD11 J:ILE75 3.9 25.9 1.0 CB J:ALA154 3.9 25.5 1.0 HZ1 J:LYS41 4.0 31.1 1.0 CG1 J:ILE75 4.1 25.9 1.0 HB2 J:ALA154 4.2 25.5 1.0 HB3 J:ALA154 4.2 25.5 1.0 HE3 J:LYS41 4.3 31.1 1.0 N18 J:YNK401 4.3 28.3 1.0 H J:ASP155 4.3 26.5 1.0 HG3 J:MET94 4.3 29.2 1.0 N15 J:YNK401 4.3 28.3 1.0 HB3 J:PHE91 4.3 28.7 1.0 HB2 J:PHE91 4.3 28.7 1.0 HG21 J:ILE75 4.4 25.9 1.0 CD1 J:ILE75 4.5 25.9 1.0 CG J:LEU144 4.5 26.5 1.0 N11 J:YNK401 4.5 28.3 1.0 CG J:PHE91 4.5 28.7 1.0 HD21 J:LEU144 4.6 26.5 1.0 HG13 J:ILE75 4.6 25.9 1.0 HB3 J:ALA39 4.6 30.9 1.0 H38 J:YNK401 4.6 28.3 1.0 HG2 J:MET94 4.7 29.2 1.0 HD13 J:ILE75 4.7 25.9 1.0 CB J:PHE91 4.7 28.7 1.0 CD1 J:PHE91 4.8 28.7 1.0 HG J:LEU144 4.8 26.5 1.0 NZ J:LYS41 4.8 31.1 1.0 C10 J:YNK401 4.8 28.3 1.0 C26 J:YNK401 4.9 28.3 1.0 HB1 J:ALA39 4.9 30.9 1.0 HB J:ILE75 4.9 25.9 1.0 CE J:LYS41 4.9 31.1 1.0 HD1 J:PHE91 4.9 28.7 1.0 HE2 J:LYS41 4.9 31.1 1.0 CG J:ASP155 5.0 26.5 1.0 CD2 J:PHE91 5.0 28.7 1.0 O J:ASP92 5.0 31.6 1.0 N J:ASP155 5.0 26.5 1.0

T.Jones, J.Feng, A.F.Koh, N.B.Cronin, A.Kotecha, J.J.Marineau, B.J.Greber, D.Taatjes. Cryo-Em Structure of Cak in Complex with Sy-5609 To Be Published.