Fluorine in PDB 8w27: Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).

All present enzymatic activity of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).:
2.4.2.30;

The structure of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). also contains other interesting chemical elements:

Zinc

(Zn)

20 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 30; Page 4, Binding sites: 31 - 40; Page 5, Binding sites: 41 - 50; Page 6, Binding sites: 51 - 60;

Binding sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). (pdb code 8w27). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 60 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map)., PDB code: 8w27:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


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 Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:52.9 occ:1.00 FAB A:XAV1201 0.0 52.9 1.0 CAU A:XAV1201 1.3 52.6 1.0 FAC A:XAV1201 2.1 57.8 1.0 FAD A:XAV1201 2.1 59.0 1.0 CAQ A:XAV1201 2.3 46.2 1.0 CAH A:XAV1201 3.1 43.1 1.0 CAG A:XAV1201 3.3 48.2 1.0 CG1 A:ILE1075 4.0 59.2 1.0 CD A:PRO1034 4.0 51.0 1.0 CG A:PRO1034 4.1 53.1 1.0 CD1 A:ILE1075 4.3 58.6 1.0 CAF A:XAV1201 4.3 43.9 1.0 N A:ILE1075 4.3 59.3 1.0 CE2 A:PHE1035 4.4 49.1 1.0 CAE A:XAV1201 4.5 43.4 1.0 CA A:GLY1074 4.5 58.6 1.0 C A:GLY1074 4.8 58.9 1.0 CAP A:XAV1201 4.9 41.9 1.0

Fluorine binding site 2 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


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 Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:57.8 occ:1.00 FAC A:XAV1201 0.0 57.8 1.0 CAU A:XAV1201 1.3 52.6 1.0 FAB A:XAV1201 2.1 52.9 1.0 FAD A:XAV1201 2.2 59.0 1.0 CAQ A:XAV1201 2.3 46.2 1.0 CAG A:XAV1201 2.7 48.2 1.0 CE2 A:PHE1035 3.5 49.1 1.0 CAH A:XAV1201 3.6 43.1 1.0 CD2 A:PHE1035 3.8 50.6 1.0 OG A:SER1033 4.1 51.0 1.0 CAE A:XAV1201 4.1 43.4 1.0 CD A:PRO1034 4.3 51.0 1.0 CG A:PRO1034 4.6 53.1 1.0 CAF A:XAV1201 4.7 43.9 1.0 CZ A:PHE1035 4.8 49.8 1.0 CAP A:XAV1201 4.9 41.9 1.0

Fluorine binding site 3 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


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 Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:59.0 occ:1.00 FAD A:XAV1201 0.0 59.0 1.0 CAU A:XAV1201 1.3 52.6 1.0 FAB A:XAV1201 2.1 52.9 1.0 FAC A:XAV1201 2.2 57.8 1.0 CAQ A:XAV1201 2.3 46.2 1.0 CAH A:XAV1201 2.8 43.1 1.0 CAG A:XAV1201 3.5 48.2 1.0 CD1 A:ILE1075 4.0 58.6 1.0 CAF A:XAV1201 4.1 43.9 1.0 CG1 A:ILE1075 4.2 59.2 1.0 CD1 A:TYR1050 4.3 49.2 1.0 CAE A:XAV1201 4.7 43.4 1.0 CG A:TYR1050 4.8 50.3 1.0 CB A:TYR1050 4.8 47.1 1.0 CA A:TYR1050 4.8 44.1 1.0 CAP A:XAV1201 4.9 41.9 1.0 CE1 A:TYR1050 4.9 49.1 1.0

Fluorine binding site 4 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:47.6 occ:1.00 FAB B:XAV1201 0.0 47.6 1.0 CAU B:XAV1201 1.3 45.4 1.0 FAD B:XAV1201 2.1 47.0 1.0 FAC B:XAV1201 2.1 44.0 1.0 CAQ B:XAV1201 2.3 37.5 1.0 CAG B:XAV1201 2.8 38.9 1.0 CE2 B:PHE1035 3.6 42.6 1.0 CAH B:XAV1201 3.6 35.5 1.0 CD2 B:PHE1035 3.7 44.7 1.0 CD B:PRO1034 3.8 39.0 1.0 CG B:PRO1034 4.0 37.5 1.0 OG B:SER1033 4.0 39.9 1.0 CAE B:XAV1201 4.1 39.7 1.0 CAF B:XAV1201 4.7 36.0 1.0 N B:PRO1034 4.8 43.4 1.0 CZ B:PHE1035 4.8 41.9 1.0 CAP B:XAV1201 4.9 37.1 1.0 CB B:SER1033 5.0 39.0 1.0

Fluorine binding site 5 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:44.0 occ:1.00 FAC B:XAV1201 0.0 44.0 1.0 CAU B:XAV1201 1.3 45.4 1.0 FAB B:XAV1201 2.1 47.6 1.0 FAD B:XAV1201 2.2 47.0 1.0 CAQ B:XAV1201 2.4 37.5 1.0 CAG B:XAV1201 3.2 38.9 1.0 CAH B:XAV1201 3.2 35.5 1.0 CAE B:XAV1201 4.4 39.7 1.0 CAF B:XAV1201 4.4 36.0 1.0 O B:HIS1048 4.5 42.4 1.0 CA B:TYR1050 4.6 32.5 1.0 CB B:TYR1050 4.7 32.9 1.0 CD1 B:TYR1050 4.8 35.4 1.0 CE2 B:PHE1035 4.8 42.6 1.0 O B:ALA1049 4.9 43.2 1.0 CAP B:XAV1201 4.9 37.1 1.0 N B:TYR1050 5.0 29.6 1.0

Fluorine binding site 6 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:47.0 occ:1.00 FAD B:XAV1201 0.0 47.0 1.0 CAU B:XAV1201 1.3 45.4 1.0 FAB B:XAV1201 2.1 47.6 1.0 FAC B:XAV1201 2.2 44.0 1.0 CAQ B:XAV1201 2.3 37.5 1.0 CAH B:XAV1201 2.8 35.5 1.0 CG1 B:ILE1075 3.4 43.8 1.0 CAG B:XAV1201 3.6 38.9 1.0 CD1 B:ILE1075 3.6 46.6 1.0 CAF B:XAV1201 4.1 36.0 1.0 N B:ILE1075 4.5 39.3 1.0 CAE B:XAV1201 4.7 39.7 1.0 CB B:ILE1075 4.7 46.0 1.0 CD1 B:TYR1050 4.9 35.4 1.0 CAP B:XAV1201 4.9 37.1 1.0 CE2 B:PHE1035 5.0 42.6 1.0

Fluorine binding site 7 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ C:F1201 b:44.2 occ:1.00 FAB C:XAV1201 0.0 44.2 1.0 CAU C:XAV1201 1.3 35.5 1.0 FAC C:XAV1201 2.1 46.2 1.0 FAD C:XAV1201 2.1 34.9 1.0 CAQ C:XAV1201 2.3 29.4 1.0 CAH C:XAV1201 2.8 31.1 1.0 CAG C:XAV1201 3.5 27.2 1.0 CAF C:XAV1201 4.1 26.6 1.0 CD1 C:ILE1075 4.2 39.8 1.0 CD1 C:TYR1050 4.3 34.2 1.0 CG1 C:ILE1075 4.5 39.0 1.0 CA C:TYR1050 4.5 26.9 1.0 CB C:TYR1050 4.6 27.8 1.0 CAE C:XAV1201 4.6 19.9 1.0 CG C:TYR1050 4.7 31.8 1.0 O C:ALA1049 4.9 38.4 1.0 CAP C:XAV1201 4.9 23.6 1.0

Fluorine binding site 8 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ C:F1201 b:46.2 occ:1.00 FAC C:XAV1201 0.0 46.2 1.0 CAU C:XAV1201 1.3 35.5 1.0 FAD C:XAV1201 2.1 34.9 1.0 FAB C:XAV1201 2.1 44.2 1.0 CAQ C:XAV1201 2.3 29.4 1.0 CAG C:XAV1201 2.7 27.2 1.0 CE2 C:PHE1035 3.4 40.8 1.0 CD2 C:PHE1035 3.6 41.9 1.0 CAH C:XAV1201 3.6 31.1 1.0 CAE C:XAV1201 4.1 19.9 1.0 OG C:SER1033 4.2 32.5 1.0 CD C:PRO1034 4.5 32.9 1.0 CG C:PRO1034 4.6 33.6 1.0 CAF C:XAV1201 4.7 26.6 1.0 CZ C:PHE1035 4.7 39.1 1.0 CG C:PHE1035 4.9 39.6 1.0 CAP C:XAV1201 4.9 23.6 1.0

Fluorine binding site 9 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ C:F1201 b:34.9 occ:1.00 FAD C:XAV1201 0.0 34.9 1.0 CAU C:XAV1201 1.3 35.5 1.0 FAC C:XAV1201 2.1 46.2 1.0 FAB C:XAV1201 2.1 44.2 1.0 CAQ C:XAV1201 2.3 29.4 1.0 CAH C:XAV1201 3.0 31.1 1.0 CAG C:XAV1201 3.3 27.2 1.0 CG1 C:ILE1075 3.9 39.0 1.0 CD1 C:ILE1075 4.2 39.8 1.0 CG C:PRO1034 4.2 33.6 1.0 CD C:PRO1034 4.3 32.9 1.0 CAF C:XAV1201 4.3 26.6 1.0 CE2 C:PHE1035 4.3 40.8 1.0 CAE C:XAV1201 4.5 19.9 1.0 N C:ILE1075 4.6 35.7 1.0 CA C:GLY1074 4.8 32.5 1.0 CD2 C:PHE1035 4.9 41.9 1.0 CAP C:XAV1201 4.9 23.6 1.0 C C:GLY1074 5.0 40.2 1.0

Fluorine binding site 10 out of 60 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map).


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Consensus Map). within 5.0Å range: probe atom residue distance (Å) B Occ D:F1201 b:45.5 occ:1.00 FAB D:XAV1201 0.0 45.5 1.0 CAU D:XAV1201 1.3 39.7 1.0 FAD D:XAV1201 2.1 41.5 1.0 FAC D:XAV1201 2.1 48.1 1.0 CAQ D:XAV1201 2.3 30.1 1.0 CAH D:XAV1201 2.8 23.5 1.0 CAG D:XAV1201 3.6 24.0 1.0 CAF D:XAV1201 4.1 20.7 1.0 CD1 D:ILE1075 4.1 40.0 1.0 CD1 D:TYR1050 4.4 30.8 1.0 CG1 D:ILE1075 4.4 41.2 1.0 CA D:TYR1050 4.6 24.6 1.0 CB D:TYR1050 4.7 30.7 1.0 CAE D:XAV1201 4.7 24.3 1.0 CG D:TYR1050 4.7 26.4 1.0 CAP D:XAV1201 4.9 14.0 1.0

J.Zimmerman, B.F.Malone, E.Finkin-Groner, S.Sun, R.Liang, M.Foronda, E.M.Schatoff, E.Granowsky, S.Goswami, A.Katti, B.Leach, H.Alcorn, T.Tammela, Y.Fukase, T.Khan, D.J.Huggins, J.Ginn, N.Liverton, R.K.Hite, L.E.Dow. A Potent and Selective TNKS2 Inhibitor For Tumor-Selective Wnt Suppression. Biorxiv 2025.
ISSN: ISSN 2692-8205
PubMed: 40093088
DOI: 10.1101/2025.03.04.641305