Fluorine in PDB 7oty: Dna-Pkcs in Complex with M3814

All present enzymatic activity of Dna-Pkcs in Complex with M3814:
2.7.11.1;

The structure of Dna-Pkcs in Complex with M3814 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Dna-Pkcs in Complex with M3814 (pdb code 7oty). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Dna-Pkcs in Complex with M3814, PDB code: 7oty:

Fluorine binding site 1 out of 1 in the Dna-Pkcs in Complex with M3814


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Dna-Pkcs in Complex with M3814 within 5.0Å range: probe atom residue distance (Å) B Occ A:F6101 b:43.3 occ:1.00 F32 A:1IX6101 0.0 43.3 1.0 C13 A:1IX6101 1.3 43.3 1.0 C14 A:1IX6101 2.3 43.3 1.0 C12 A:1IX6101 2.4 43.3 1.0 NZ A:LYS3753 2.7 18.7 1.0 C16 A:1IX6101 2.8 43.3 1.0 N17 A:1IX6101 3.1 43.3 1.0 CE A:LYS3753 3.5 18.7 1.0 C15 A:1IX6101 3.6 43.3 1.0 C11 A:1IX6101 3.7 43.3 1.0 CG A:PRO3735 3.8 27.9 1.0 C21 A:1IX6101 3.9 43.3 1.0 CE A:MET3729 4.1 34.2 1.0 C10 A:1IX6101 4.1 43.3 1.0 C18 A:1IX6101 4.1 43.3 1.0 CD A:LYS3753 4.2 18.7 1.0 CD1 A:LEU3751 4.2 9.2 1.0 C22 A:1IX6101 4.4 43.3 1.0 CB A:PRO3735 4.5 27.9 1.0 CG A:LYS3753 4.7 18.7 1.0 C20 A:1IX6101 4.8 43.3 1.0 N19 A:1IX6101 4.9 43.3 1.0 OD2 A:ASP3941 4.9 20.6 0.0 CD A:PRO3735 4.9 27.9 1.0

S.Liang, S.E.Thomas, A.K.Chaplin, S.W.Hardwick, D.Y.Chirgadze, T.L.Blundell. Structural Insights Into Inhibitor Regulation of the Dna Repair Protein Dna-Pkcs. Nature V. 601 643 2022.
ISSN: ESSN 1476-4687
PubMed: 34987222
DOI: 10.1038/S41586-021-04274-9