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Fluorine in PDB 8w28: Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement Map).

Enzymatic activity of Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement Map).

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

Other elements in 8w28:

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

Zinc (Zn) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement Map). (pdb code 8w28). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement Map)., PDB code: 8w28:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 8w28

Go back to Fluorine Binding Sites List in 8w28
Fluorine binding site 1 out of 6 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement 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 (Focused Refinement Map). within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1201

b:32.4
occ:1.00
 FAB D:XAV1201 0.0 32.4 1.0
CAU D:XAV1201 1.3 25.1 1.0
FAD D:XAV1201 2.1 19.7 1.0
FAC D:XAV1201 2.1 28.2 1.0
CAQ D:XAV1201 2.4 22.9 1.0
CAH D:XAV1201 2.7 24.1 1.0
CAG D:XAV1201 3.6 22.4 1.0
CD1 D:ILE1075 3.7 25.3 1.0
CG1 D:ILE1075 4.0 23.7 1.0
CAF D:XAV1201 4.1 22.7 1.0
CD1 D:TYR1050 4.3 11.9 1.0
CAE D:XAV1201 4.7 18.6 1.0
CB D:TYR1050 4.9 8.7 1.0
CG D:TYR1050 4.9 19.6 1.0
CAP D:XAV1201 4.9 20.0 1.0
CA D:TYR1050 5.0 8.6 1.0
CE1 D:TYR1050 5.0 16.7 1.0

Fluorine binding site 2 out of 6 in 8w28

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Fluorine binding site 2 out of 6 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement 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 (Focused Refinement Map). within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1201

b:28.2
occ:1.00
 FAC D:XAV1201 0.0 28.2 1.0
CAU D:XAV1201 1.3 25.1 1.0
FAD D:XAV1201 2.1 19.7 1.0
FAB D:XAV1201 2.1 32.4 1.0
CAQ D:XAV1201 2.4 22.9 1.0
CAG D:XAV1201 2.8 22.4 1.0
CAH D:XAV1201 3.6 24.1 1.0
CE2 D:PHE1035 3.7 22.7 1.0
CD2 D:PHE1035 4.0 28.2 1.0
CAE D:XAV1201 4.2 18.6 1.0
OG D:SER1033 4.5 20.4 1.0
CAF D:XAV1201 4.7 22.7 1.0
O D:HIS1048 4.8 30.4 1.0
CZ D:PHE1035 4.9 27.7 1.0
CD D:PRO1034 4.9 28.1 1.0
CAP D:XAV1201 5.0 20.0 1.0

Fluorine binding site 3 out of 6 in 8w28

Go back to Fluorine Binding Sites List in 8w28
Fluorine binding site 3 out of 6 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement 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 (Focused Refinement Map). within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1201

b:19.7
occ:1.00
 FAD D:XAV1201 0.0 19.7 1.0
CAU D:XAV1201 1.3 25.1 1.0
FAB D:XAV1201 2.1 32.4 1.0
FAC D:XAV1201 2.1 28.2 1.0
CAQ D:XAV1201 2.3 22.9 1.0
CAG D:XAV1201 3.1 22.4 1.0
CAH D:XAV1201 3.3 24.1 1.0
CD D:PRO1034 3.8 28.1 1.0
CE2 D:PHE1035 3.9 22.7 1.0
CG D:PRO1034 4.0 25.1 1.0
CAE D:XAV1201 4.4 18.6 1.0
CA D:GLY1074 4.4 13.6 1.0
CAF D:XAV1201 4.5 22.7 1.0
CD2 D:PHE1035 4.5 28.2 1.0
N D:ILE1075 4.7 23.4 1.0
CG1 D:ILE1075 4.7 23.7 1.0
CZ D:PHE1035 4.8 27.7 1.0
CD1 D:ILE1075 4.8 25.3 1.0
CAP D:XAV1201 4.9 20.0 1.0
OG D:SER1033 4.9 20.4 1.0
C D:GLY1074 5.0 13.4 1.0

Fluorine binding site 4 out of 6 in 8w28

Go back to Fluorine Binding Sites List in 8w28
Fluorine binding site 4 out of 6 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement 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 (Focused Refinement Map). within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F1201

b:32.8
occ:1.00
 FAB Q:XAV1201 0.0 32.8 1.0
CAU Q:XAV1201 1.3 25.6 1.0
FAD Q:XAV1201 2.1 22.8 1.0
FAC Q:XAV1201 2.2 24.7 1.0
CAQ Q:XAV1201 2.4 20.1 1.0
CAH Q:XAV1201 2.8 19.4 1.0
CAG Q:XAV1201 3.6 21.4 1.0
CD1 Q:ILE1075 4.1 29.3 1.0
CAF Q:XAV1201 4.1 21.9 1.0
CG1 Q:ILE1075 4.3 25.9 1.0
CD1 Q:TYR1050 4.4 6.8 1.0
CAE Q:XAV1201 4.7 20.2 1.0
CB Q:TYR1050 4.8 6.6 1.0
CG Q:TYR1050 4.9 11.8 1.0
CA Q:TYR1050 4.9 6.6 1.0
CAP Q:XAV1201 4.9 19.5 1.0
CE2 Q:PHE1035 5.0 14.4 1.0

Fluorine binding site 5 out of 6 in 8w28

Go back to Fluorine Binding Sites List in 8w28
Fluorine binding site 5 out of 6 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement 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 (Focused Refinement Map). within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F1201

b:24.7
occ:1.00
 FAC Q:XAV1201 0.0 24.7 1.0
CAU Q:XAV1201 1.3 25.6 1.0
FAD Q:XAV1201 2.1 22.8 1.0
FAB Q:XAV1201 2.2 32.8 1.0
CAQ Q:XAV1201 2.4 20.1 1.0
CAG Q:XAV1201 2.7 21.4 1.0
CE2 Q:PHE1035 3.5 14.4 1.0
CAH Q:XAV1201 3.6 19.4 1.0
CD2 Q:PHE1035 3.7 14.3 1.0
CAE Q:XAV1201 4.1 20.2 1.0
OG Q:SER1033 4.3 9.0 1.0
CD Q:PRO1034 4.5 17.5 1.0
CAF Q:XAV1201 4.7 21.9 1.0
CG Q:PRO1034 4.8 17.8 1.0
CZ Q:PHE1035 4.8 17.3 1.0
CB Q:SER1033 4.9 3.7 1.0
CAP Q:XAV1201 4.9 19.5 1.0

Fluorine binding site 6 out of 6 in 8w28

Go back to Fluorine Binding Sites List in 8w28
Fluorine binding site 6 out of 6 in the Cryo-Em Structure of Human Tankyrase 2 Sam-Parp Filament Bound to Compound, Xav (Focused Refinement 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 (Focused Refinement Map). within 5.0Å range:
probe atom residue distance (Å) B Occ
Q:F1201

b:22.8
occ:1.00
 FAD Q:XAV1201 0.0 22.8 1.0
CAU Q:XAV1201 1.3 25.6 1.0
FAB Q:XAV1201 2.1 32.8 1.0
FAC Q:XAV1201 2.1 24.7 1.0
CAQ Q:XAV1201 2.3 20.1 1.0
CAH Q:XAV1201 3.1 19.4 1.0
CAG Q:XAV1201 3.2 21.4 1.0
CD Q:PRO1034 3.9 17.5 1.0
CG Q:PRO1034 4.0 17.8 1.0
CE2 Q:PHE1035 4.2 14.4 1.0
CAF Q:XAV1201 4.4 21.9 1.0
CG1 Q:ILE1075 4.4 25.9 1.0
CAE Q:XAV1201 4.4 20.2 1.0
CA Q:GLY1074 4.5 14.5 1.0
N Q:ILE1075 4.6 30.0 1.0
CD1 Q:ILE1075 4.7 29.3 1.0
CD2 Q:PHE1035 4.7 14.3 1.0
CAP Q:XAV1201 4.9 19.5 1.0
C Q:GLY1074 4.9 19.7 1.0

Reference:

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
Page generated: Wed Jul 16 09:50:12 2025

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