Chlorine in PDB 8r31: Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412

All present enzymatic activity of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412:
3.5.2.6;

The structure of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412, PDB code: 8r31 was solved by C.L.Tooke, P.Hinchliffe, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.48 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.49, 45.58, 117.65, 90, 90, 90
R / Rfree (%)	17.5 / 21.2

The structure of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412 also contains other interesting chemical elements:

Sodium

(Na)

3 atoms

The binding sites of Chlorine atom in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412 (pdb code 8r31). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412, PDB code: 8r31:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:31.6 occ:1.00 CL12 A:XQN301 0.0 31.6 1.0 C11 A:XQN301 1.7 24.2 1.0 HA A:THR216 2.6 27.7 1.0 C10 A:XQN301 2.7 20.5 1.0 C13 A:XQN301 2.7 28.4 1.0 H10 A:XQN301 2.8 24.5 1.0 H13 A:XQN301 2.8 34.0 1.0 O A:HOH612 3.3 38.7 1.0 HB A:THR216 3.4 23.9 1.0 CA A:THR216 3.4 23.1 1.0 HG22 A:THR216 3.5 25.6 1.0 CB A:THR216 3.8 20.0 1.0 O A:THR215 4.0 25.5 1.0 O A:THR216 4.0 23.7 1.0 C9 A:XQN301 4.0 26.2 1.0 C14 A:XQN301 4.0 25.7 1.0 C A:THR216 4.1 21.5 1.0 O A:HOH503 4.1 30.2 1.0 CG2 A:THR216 4.1 21.4 1.0 N A:THR216 4.5 19.9 1.0 C8 A:XQN301 4.5 29.7 1.0 C A:THR215 4.6 24.4 1.0 HG21 A:THR216 4.6 25.6 1.0 H9 A:XQN301 4.7 31.4 1.0 H14 A:XQN301 4.8 30.8 1.0 HG23 A:THR216 4.9 25.6 1.0

Chlorine binding site 2 out of 2 in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:24.1 occ:1.00 H A:ALA227 2.5 24.5 1.0 HA A:PRO226 3.0 23.5 1.0 O A:HOH525 3.2 23.6 1.0 N A:ALA227 3.3 20.4 1.0 HB3 A:PRO226 3.5 24.4 1.0 HB3 A:ALA227 3.6 28.8 1.0 CA A:PRO226 3.8 19.6 1.0 HB2 A:ALA227 3.8 28.8 1.0 CB A:ALA227 4.0 24.0 1.0 C A:PRO226 4.0 22.4 1.0 CB A:PRO226 4.1 20.4 1.0 CA A:ALA227 4.3 20.7 1.0 H A:SER228 4.5 27.5 1.0 HB2 A:PRO226 4.7 24.4 1.0 HA A:ALA227 4.9 24.9 1.0 HB1 A:ALA227 5.0 28.8 1.0 HG3 A:PRO226 5.0 23.8 1.0 O A:HOH584 5.0 39.0 1.0

C.L.Tooke, P.Hinchliffe, J.Spencer. Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-412 To Be Published.