Fluorine in PDB 8uzv: Structure of TDP1 Catalytic Domain Complexed with Compound IB02

The structure of Structure of TDP1 Catalytic Domain Complexed with Compound IB02, PDB code: 8uzv was solved by G.T.Lountos, X.Z.Zhao, I.Barakat, W.Wang, K.Agama, M.R.Al Mahmud, Y.Pommier, T.R.Burke Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.80 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.79, 104.808, 193.181, 90, 90, 90
R / Rfree (%)	16.3 / 19.3

The binding sites of Fluorine atom in the Structure of TDP1 Catalytic Domain Complexed with Compound IB02 (pdb code 8uzv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Structure of TDP1 Catalytic Domain Complexed with Compound IB02, PDB code: 8uzv:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Structure of TDP1 Catalytic Domain Complexed with Compound IB02


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of TDP1 Catalytic Domain Complexed with Compound IB02 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:94.9 occ:1.00 F15 A:Y9G701 0.0 94.9 1.0 S12 A:Y9G701 1.6 96.9 1.0 O14 A:Y9G701 2.5 99.8 1.0 O13 A:Y9G701 2.5 99.9 1.0 C11 A:Y9G701 2.8 84.1 1.0 N09 A:Y9G701 3.1 51.3 1.0 C10 A:Y9G701 3.3 69.8 1.0 O A:HOH1097 4.0 51.7 1.0 O A:HOH895 4.0 34.7 1.0 C08 A:Y9G701 4.2 44.1 1.0 CB A:PRO461 4.4 24.1 1.0 CG A:PRO461 4.5 21.9 1.0 O A:PRO461 4.7 39.3 1.0 N06 A:Y9G701 4.8 32.0 1.0 C16 A:Y9G701 4.9 36.3 1.0 C07 A:Y9G701 4.9 39.1 1.0

Fluorine binding site 2 out of 2 in the Structure of TDP1 Catalytic Domain Complexed with Compound IB02


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of TDP1 Catalytic Domain Complexed with Compound IB02 within 5.0Å range: probe atom residue distance (Å) B Occ B:F701 b:94.6 occ:1.00 F15 B:Y9G701 0.0 94.6 1.0 S12 B:Y9G701 1.6 91.8 1.0 O14 B:Y9G701 2.6 90.3 1.0 O13 B:Y9G701 2.6 95.3 1.0 C11 B:Y9G701 2.8 75.0 1.0 O B:HOH806 2.8 57.6 1.0 C10 B:Y9G701 3.2 58.8 1.0 CZ2 B:TRP590 3.7 39.8 1.0 CH2 B:TRP590 4.4 34.5 1.0 OG B:SER463 4.5 36.3 0.4 N09 B:Y9G701 4.6 42.0 1.0 CE2 B:TRP590 4.6 30.0 1.0 NE1 B:TRP590 4.9 33.9 1.0 CB B:PRO461 5.0 26.2 1.0

G.T.Lountos, X.Z.Zhao, I.Barakat, W.Wang, K.Agama, M.R.Al Mahmud, Y.Pommier, T.R.Burke Jr.. Structure of TDP1 Catalytic Domain Complexed with Compound IB02 To Be Published.