Fluorine in PDB 7u9b: Crystal Structure of Indoline 7 with Kpc-2

All present enzymatic activity of Crystal Structure of Indoline 7 with Kpc-2:
3.5.2.6;

The structure of Crystal Structure of Indoline 7 with Kpc-2, PDB code: 7u9b 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)	36.06 / 1.95
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.71, 58.91, 76.66, 90, 90, 90
R / Rfree (%)	17.9 / 22.7

The binding sites of Fluorine atom in the Crystal Structure of Indoline 7 with Kpc-2 (pdb code 7u9b). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Indoline 7 with Kpc-2, PDB code: 7u9b:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Crystal Structure of Indoline 7 with Kpc-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 Indoline 7 with Kpc-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:63.9 occ:0.78 F09 A:M2I301 0.0 63.9 0.8 C08 A:M2I301 1.4 63.2 0.8 F11 A:M2I301 2.2 71.3 0.8 F10 A:M2I301 2.2 65.0 0.8 C07 A:M2I301 2.4 47.7 0.8 C06 A:M2I301 2.7 46.8 0.8 C12 A:M2I301 3.6 41.3 0.8 C05 A:M2I301 4.1 48.5 0.8 C03 A:M2I301 4.7 39.8 0.8 C04 A:M2I301 4.9 43.0 0.8

Fluorine binding site 2 out of 3 in the Crystal Structure of Indoline 7 with Kpc-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 Indoline 7 with Kpc-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:65.0 occ:0.78 F10 A:M2I301 0.0 65.0 0.8 C08 A:M2I301 1.4 63.2 0.8 F11 A:M2I301 2.2 71.3 0.8 F09 A:M2I301 2.2 63.9 0.8 C07 A:M2I301 2.3 47.7 0.8 C12 A:M2I301 2.8 41.3 0.8 C06 A:M2I301 3.5 46.8 0.8 C03 A:M2I301 4.1 39.8 0.8 C05 A:M2I301 4.6 48.5 0.8 O A:HOH479 4.7 29.8 1.0 C04 A:M2I301 4.9 43.0 0.8

Fluorine binding site 3 out of 3 in the Crystal Structure of Indoline 7 with Kpc-2


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Indoline 7 with Kpc-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:71.3 occ:0.78 F11 A:M2I301 0.0 71.3 0.8 C08 A:M2I301 1.4 63.2 0.8 F10 A:M2I301 2.2 65.0 0.8 F09 A:M2I301 2.2 63.9 0.8 C07 A:M2I301 2.4 47.7 0.8 C12 A:M2I301 3.1 41.3 0.8 O A:HOH479 3.3 29.8 1.0 C06 A:M2I301 3.3 46.8 0.8 C03 A:M2I301 4.3 39.8 0.8 C05 A:M2I301 4.5 48.5 0.8 C04 A:M2I301 4.9 43.0 0.8

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.