Fluorine in PDB 3ki6: Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L

All present enzymatic activity of Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L:
2.4.2.36;

The structure of Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L, PDB code: 3ki6 was solved by R.Jorgensen, P.R.Edwards, A.R.Merrill, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.97 / 1.54
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.349, 64.870, 78.600, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 20.1

The binding sites of Fluorine atom in the Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L (pdb code 3ki6). 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 Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L, PDB code: 3ki6:

Fluorine binding site 1 out of 1 in the Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Catalytic Fragment of Cholix Toxin From Vibrio Cholerae in Complex with Inhibitor Gp-L within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:12.7 occ:1.00 FAC A:G9L1 0.0 12.7 1.0 CAS A:G9L1 1.3 10.8 1.0 CAF A:G9L1 2.3 9.9 1.0 CAD A:G9L1 2.4 12.8 1.0 CB A:GLU581 3.3 11.8 1.0 CG1 A:VAL500 3.3 9.7 1.0 CB A:ALA495 3.4 9.0 1.0 O A:VAL494 3.5 8.5 1.0 CAX A:G9L1 3.6 9.3 1.0 CAE A:G9L1 3.7 10.7 1.0 CA A:GLU581 3.7 10.9 1.0 C A:VAL494 3.9 8.8 1.0 CA A:ALA495 4.1 6.4 1.0 N A:ALA495 4.1 7.2 1.0 CAW A:G9L1 4.2 10.4 1.0 O A:ASP580 4.3 10.3 1.0 OE1 A:GLU581 4.4 16.5 1.0 CB A:VAL500 4.5 9.2 1.0 O A:HOH60 4.5 30.0 1.0 N A:THR582 4.6 9.7 1.0 CG A:GLU581 4.6 13.5 1.0 C A:GLU581 4.7 10.2 1.0 N A:VAL494 4.7 8.0 1.0 CA A:VAL494 4.7 8.1 1.0 N A:GLU581 4.7 9.5 1.0 CAV A:G9L1 4.8 10.2 1.0 CE2 A:TYR504 4.8 12.7 1.0 C A:ASP580 4.9 9.2 1.0

R.Jorgensen, P.R.Edwards, A.R.Merrill. Structure Function Analysis of Soluble Inhibitors of Cholix Toxin From Vibrio Cholerae To Be Published.