Fluorine in PDB 6n0d: Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575

The structure of Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575, PDB code: 6n0d was solved by G.T.Lountos, X.Z.Zhao, E.Kiselev, J.E.Tropea, D.Needle, T.R.Burke Jr., Y.Pommier, D.S.Waugh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.05 / 1.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.058, 105.429, 193.915, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.3

The binding sites of Fluorine atom in the Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575 (pdb code 6n0d). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575, PDB code: 6n0d:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:38.5 occ:1.00 F08 A:K8J701 0.0 38.5 1.0 C07 A:K8J701 1.4 20.4 1.0 C09 A:K8J701 2.4 17.1 1.0 C06 A:K8J701 2.4 18.9 1.0 C10 A:K8J701 3.6 14.5 1.0 C05 A:K8J701 3.7 18.3 1.0 OG A:SER400 4.0 21.9 1.0 CB A:PRO461 4.0 21.4 1.0 CG A:PRO461 4.0 20.1 1.0 C04 A:K8J701 4.1 14.6 1.0 O A:HOH1233 4.2 60.8 1.0 O A:HOH981 4.2 22.9 1.0 O A:HOH989 4.5 28.2 1.0 O A:HOH1155 4.7 41.0 1.0 O A:HOH1215 4.7 49.9 1.0 CB A:SER400 4.7 18.3 1.0 C11 A:K8J701 4.8 18.6 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575 within 5.0Å range: probe atom residue distance (Å) B Occ B:F701 b:42.2 occ:0.99 F08 B:K8J701 0.0 42.2 1.0 C07 B:K8J701 1.4 21.7 1.0 C09 B:K8J701 2.4 19.3 1.0 C06 B:K8J701 2.4 21.0 1.0 C10 B:K8J701 3.6 18.0 1.0 C05 B:K8J701 3.6 18.2 1.0 CG B:PRO461 4.0 20.9 1.0 CB B:PRO461 4.0 24.4 1.0 OG B:SER400 4.1 26.2 1.0 C04 B:K8J701 4.1 18.4 1.0 O B:HOH884 4.3 28.3 1.0 O B:HOH1060 4.6 34.8 1.0 CB B:SER400 4.8 21.6 1.0 C11 B:K8J701 4.9 20.5 1.0

G.T.Lountos, X.Z.Zhao, E.Kiselev, J.E.Tropea, D.Needle, T.R.Burke Jr., Y.Pommier, D.S.Waugh. Crystal Structure of TDP1 Catalytic Domain in Complex with Compound XZ575 To Be Published.