Fluorine in PDB 7ni4: Human Atm Kinase Domain with Bound M4076 Inhibitor

All present enzymatic activity of Human Atm Kinase Domain with Bound M4076 Inhibitor:
2.7.11.1;

The structure of Human Atm Kinase Domain with Bound M4076 Inhibitor also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Fluorine atom in the Human Atm Kinase Domain with Bound M4076 Inhibitor (pdb code 7ni4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Human Atm Kinase Domain with Bound M4076 Inhibitor, PDB code: 7ni4:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Human Atm Kinase Domain with Bound M4076 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Atm Kinase Domain with Bound M4076 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F3202 b:76.1 occ:1.00 F3 A:UGK3202 0.0 76.1 1.0 C4 A:UGK3202 1.4 76.1 1.0 C5 A:UGK3202 2.4 76.1 1.0 C9 A:UGK3202 2.4 76.1 1.0 N14 A:UGK3202 2.8 76.1 1.0 CD2 A:LEU2877 3.1 66.4 1.0 O A:GLN2874 3.3 69.4 1.0 C30 A:UGK3202 3.4 76.1 1.0 CG A:PRO2775 3.5 71.6 1.0 CD1 A:ILE2888 3.5 67.8 1.0 N6 A:UGK3202 3.6 76.1 1.0 C13 A:UGK3202 3.6 76.1 1.0 C8 A:UGK3202 3.6 76.1 1.0 C24 A:UGK3202 3.9 76.1 1.0 C29 A:UGK3202 4.0 76.1 1.0 C7 A:UGK3202 4.1 76.1 1.0 O10 A:UGK3202 4.2 76.1 1.0 CB A:PRO2775 4.2 71.6 1.0 C31 A:UGK3202 4.3 76.1 1.0 CG A:LEU2877 4.4 66.4 1.0 N12 A:UGK3202 4.4 76.1 1.0 C A:GLN2874 4.5 69.4 1.0 CD A:PRO2775 4.6 71.6 1.0 CD1 A:LEU2877 4.6 66.4 1.0 O2 A:UGK3202 4.8 76.1 1.0 CG1 A:ILE2888 4.8 67.8 1.0 OE1 A:GLN2874 4.9 69.4 1.0 CA A:PRO2775 5.0 71.6 1.0

Fluorine binding site 2 out of 2 in the Human Atm Kinase Domain with Bound M4076 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human Atm Kinase Domain with Bound M4076 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F3202 b:74.2 occ:1.00 F3 B:UGK3202 0.0 74.2 1.0 C4 B:UGK3202 1.4 74.2 1.0 C5 B:UGK3202 2.4 74.2 1.0 C9 B:UGK3202 2.4 74.2 1.0 N14 B:UGK3202 2.8 74.2 1.0 CD2 B:LEU2877 3.2 64.5 1.0 CG B:PRO2775 3.4 71.1 1.0 C30 B:UGK3202 3.4 74.2 1.0 O B:GLN2874 3.5 70.2 1.0 CD1 B:ILE2888 3.5 67.5 1.0 N6 B:UGK3202 3.6 74.2 1.0 C13 B:UGK3202 3.6 74.2 1.0 C8 B:UGK3202 3.6 74.2 1.0 C24 B:UGK3202 3.9 74.2 1.0 C29 B:UGK3202 4.0 74.2 1.0 CB B:PRO2775 4.1 71.1 1.0 C7 B:UGK3202 4.1 74.2 1.0 O10 B:UGK3202 4.1 74.2 1.0 CG B:LEU2877 4.3 64.5 1.0 C31 B:UGK3202 4.3 74.2 1.0 N12 B:UGK3202 4.4 74.2 1.0 CD B:PRO2775 4.5 71.1 1.0 C B:GLN2874 4.6 70.2 1.0 CD1 B:LEU2877 4.7 64.5 1.0 OE1 B:GLN2874 4.8 70.2 1.0 O2 B:UGK3202 4.8 74.2 1.0 CG1 B:ILE2888 4.8 67.5 1.0 CA B:PRO2775 4.9 71.1 1.0

K.Stakyte, M.Rotheneder, K.Lammens, J.D.Bartho, U.Graedler, T.Fuchss, U.Pehl, A.Alt, E.Van De Logt, K.P.Hopfner. Molecular Basis of Human Atm Kinase Inhibition To Be Published.