Fluorine in PDB 3ba8: Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase

All present enzymatic activity of Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase:
6.5.1.2;

The structure of Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase, PDB code: 3ba8 was solved by C.Pinko, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 1.90
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.496, 86.285, 56.609, 90.00, 100.94, 90.00
R / Rfree (%)	19.3 / 22.3

The binding sites of Fluorine atom in the Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase (pdb code 3ba8). 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 Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase, PDB code: 3ba8:

Fluorine binding site 1 out of 1 in the Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:24.6 occ:1.00 F9 A:3B8501 0.0 24.6 1.0 C4 A:3B8501 1.3 24.1 1.0 C3 A:3B8501 2.4 22.5 1.0 C5 A:3B8501 2.4 20.5 1.0 CB A:TYR87 3.1 21.4 1.0 O A:TYR87 3.3 21.7 1.0 C A:TYR87 3.4 23.0 1.0 CD A:PRO308 3.6 21.6 1.0 O A:HOH719 3.6 28.0 1.0 CA A:TYR87 3.6 21.9 1.0 O A:HOH703 3.6 32.6 1.0 C2 A:3B8501 3.7 23.7 1.0 C6 A:3B8501 3.7 20.4 1.0 N A:TYR87 3.8 21.6 1.0 O A:HOH542 3.9 24.7 1.0 O A:SER88 3.9 24.8 1.0 CG A:PRO308 4.0 23.4 1.0 N A:SER88 4.1 21.8 1.0 C1 A:3B8501 4.2 21.5 1.0 CG A:TYR87 4.2 23.4 1.0 C A:SER88 4.4 24.5 1.0 CD1 A:TYR87 4.5 22.1 1.0 CA A:SER88 4.6 25.0 1.0 O A:HOH529 4.8 27.2 1.0 CD2 A:LEU89 4.8 20.9 1.0 CE2 A:PHE303 4.9 22.8 1.0 CB A:PRO308 4.9 23.4 1.0 N A:PRO308 4.9 21.1 1.0 C A:MET86 4.9 21.6 1.0 C8 A:3B8501 4.9 22.2 1.0

C.Pinko, A.Borchardt, V.Nikulin, Y.Su. Structural Basis For the Inhibition of Bacterial Nad+ Dependent Dna Ligase To Be Published.