Fluorine in PDB 7u70: Crystal Structure of Ctx-M-14 with Compound 2

All present enzymatic activity of Crystal Structure of Ctx-M-14 with Compound 2:
3.5.2.6;

The structure of Crystal Structure of Ctx-M-14 with Compound 2, PDB code: 7u70 was solved by A.Akhtar, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.72 / 1.36
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.25, 106.8, 47.73, 90, 101.84, 90
R / Rfree (%)	15.1 / 17.1

The binding sites of Fluorine atom in the Crystal Structure of Ctx-M-14 with Compound 2 (pdb code 7u70). 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 Ctx-M-14 with Compound 2, PDB code: 7u70:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Ctx-M-14 with Compound 2


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 Ctx-M-14 with Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:21.7 occ:0.90 F A:LW0301 0.0 21.7 0.9 C13 A:LW0301 1.4 20.1 0.9 C12 A:LW0301 2.4 16.8 0.9 C14 A:LW0301 2.4 14.8 0.9 O A:HOH709 2.9 22.3 1.0 O A:HOH477 3.2 20.2 1.0 O A:PRO167 3.5 7.0 1.0 C11 A:LW0301 3.6 10.7 0.9 C15 A:LW0301 3.6 13.7 0.9 CB A:PRO167 3.9 9.3 1.0 C16 A:LW0301 4.1 11.9 0.9 C A:PRO167 4.2 5.7 1.0 CG A:PRO167 4.6 9.4 1.0 CB A:ASN170 4.7 7.5 1.0 CA A:PRO167 4.7 7.3 1.0 C A:LW0301 4.8 9.7 0.9 O A:HOH457 4.9 21.2 1.0 O A:LW0301 4.9 9.5 0.9 N A:THR168 5.0 5.0 1.0 OD2 A:ASP240 5.0 11.7 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Ctx-M-14 with Compound 2


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 Ctx-M-14 with Compound 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:F301 b:29.5 occ:0.90 F B:LW0301 0.0 29.5 0.9 C13 B:LW0301 1.3 16.6 0.9 O B:HOH689 2.3 31.0 1.0 C12 B:LW0301 2.4 17.7 0.9 C14 B:LW0301 2.4 15.0 0.9 O B:HOH415 3.1 25.4 1.0 O B:PRO167 3.5 8.7 1.0 C11 B:LW0301 3.6 12.4 0.9 C15 B:LW0301 3.6 13.1 0.9 CB B:PRO167 4.0 9.0 1.0 C16 B:LW0301 4.1 13.7 0.9 C B:PRO167 4.2 8.6 1.0 CB B:ASN170 4.6 9.3 1.0 CG B:PRO167 4.7 11.0 1.0 CA B:PRO167 4.7 8.7 1.0 OD2 B:ASP240 4.7 14.6 1.0 O B:HOH514 4.8 25.6 1.0 C B:LW0301 4.8 9.3 0.9 O B:LW0301 4.9 10.8 0.9

K.Defrees, E.M.Cambeis, Y.Chen, A.R.Renslo. Probing the Binding Hot Spots of Kpc-2 Carbapenemase Using Reversible Tetrazole-Based Inhibitors To Be Published.