Sodium in PDB 8r2z: Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425

All present enzymatic activity of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425:
3.5.2.6;

The structure of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425, PDB code: 8r2z 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)	41.54 / 1.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	44.438, 45.514, 116.923, 90, 90, 90
R / Rfree (%)	14 / 16.8

The structure of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425 also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Sodium atom in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425 (pdb code 8r2z). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425, PDB code: 8r2z:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na308 b:15.7 occ:1.00 HG1 A:THR181 1.9 10.9 1.0 HB2 A:PHE160 2.6 11.6 1.0 OD2 A:ASP157 2.7 10.6 1.0 OG1 A:THR181 2.7 9.1 1.0 HA A:MET186 2.8 10.9 1.0 HD2 A:PHE160 3.1 10.9 1.0 HG21 A:THR181 3.1 11.5 1.0 HB2 A:MET186 3.2 11.6 1.0 HB1 A:ALA185 3.4 13.5 1.0 HB3 A:ALA185 3.4 13.5 1.0 CA A:MET186 3.4 9.1 1.0 N A:MET186 3.4 9.7 1.0 SD A:MET186 3.5 11.1 1.0 CB A:THR181 3.5 8.9 1.0 CB A:PHE160 3.5 9.6 1.0 HB A:THR181 3.5 10.7 1.0 CG2 A:THR181 3.6 9.6 1.0 CG A:ASP157 3.6 10.4 1.0 C A:ALA185 3.6 9.9 1.0 HG23 A:THR181 3.7 11.5 1.0 CB A:MET186 3.7 9.7 1.0 H A:PHE160 3.8 11.4 1.0 H A:MET186 3.8 11.7 1.0 O A:ALA185 3.8 10.0 1.0 CB A:ALA185 3.8 11.3 1.0 HA A:PHE160 3.8 10.6 1.0 OD1 A:ASP157 3.8 10.2 1.0 HG1 A:THR189 3.8 12.6 1.0 CD2 A:PHE160 3.9 9.1 1.0 HB A:THR189 4.0 12.7 1.0 HE2 A:MET75 4.0 16.3 0.5 CA A:PHE160 4.0 8.8 1.0 HE1 A:MET75 4.1 16.3 0.5 HB3 A:PHE160 4.1 11.6 1.0 N A:PHE160 4.2 9.5 1.0 CG A:PHE160 4.2 8.9 1.0 HE3 A:MET75 4.2 16.3 0.5 CG A:MET186 4.3 10.0 1.0 CE A:MET75 4.3 13.6 0.5 HE3 A:MET186 4.3 17.4 1.0 CA A:ALA185 4.4 10.4 1.0 HB A:THR159 4.4 14.2 1.0 CE A:MET186 4.4 14.5 1.0 OG1 A:THR189 4.5 10.5 1.0 HE1 A:MET186 4.5 17.4 1.0 HG22 A:THR181 4.5 11.5 1.0 H A:SER182 4.6 11.5 1.0 HB3 A:MET186 4.6 11.6 1.0 CB A:THR189 4.6 10.6 1.0 HB2 A:ALA185 4.7 13.5 1.0 HG21 A:THR189 4.7 14.7 1.0 O A:SER182 4.8 9.7 1.0 C A:MET186 4.8 8.9 1.0 HG2 A:MET186 4.8 12.0 1.0 CA A:THR181 4.9 9.3 1.0 HG3 A:MET186 4.9 12.0 1.0 CB A:ASP157 5.0 10.5 1.0

Sodium binding site 2 out of 2 in the Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425 within 5.0Å range: probe atom residue distance (Å) B Occ A:Na309 b:15.2 occ:1.00 H A:GLN222 2.1 11.4 1.0 HG3 A:GLN222 2.3 19.3 1.0 O A:GLY217 2.7 12.1 1.0 OD2 A:ASP245 2.8 9.2 1.0 HE21 A:GLN222 2.8 22.8 1.0 N A:GLN222 2.9 9.5 1.0 HB A:ILE221 2.9 11.4 1.0 H A:ILE221 3.1 11.2 1.0 CG A:GLN222 3.1 16.1 1.0 HB2 A:GLN222 3.2 15.0 1.0 OD2 A:ASP233 3.2 9.9 1.0 CG A:ASP233 3.3 9.7 1.0 N A:ILE221 3.4 9.3 1.0 NE2 A:GLN222 3.4 19.0 1.0 HB2 A:SER220 3.4 12.0 1.0 HG11 A:VAL231 3.5 18.0 1.0 CB A:GLN222 3.5 12.5 1.0 HA3 A:GLY217 3.5 16.3 1.0 HB3 A:ASP233 3.5 11.4 1.0 OD1 A:ASP233 3.6 11.5 1.0 C A:GLY217 3.7 12.6 1.0 CD A:GLN222 3.7 18.2 1.0 CB A:ILE221 3.7 9.5 1.0 CA A:ILE221 3.8 9.7 1.0 CA A:GLN222 3.8 11.2 1.0 C A:ILE221 3.8 10.0 1.0 CB A:ASP233 3.8 9.5 1.0 CG A:ASP245 3.8 8.3 1.0 HB2 A:ASP233 3.9 11.4 1.0 HG2 A:GLN222 3.9 19.3 1.0 H A:SER220 4.0 12.4 1.0 C A:SER220 4.0 9.9 1.0 CA A:GLY217 4.0 13.6 1.0 HG22 A:ILE221 4.0 12.0 1.0 HE22 A:GLN222 4.1 22.8 1.0 HA2 A:GLY217 4.2 16.3 1.0 OD1 A:ASP245 4.2 9.6 1.0 HA A:GLN222 4.2 13.4 1.0 CB A:SER220 4.2 10.0 1.0 HG12 A:VAL231 4.3 18.0 1.0 CG1 A:VAL231 4.3 15.0 1.0 HB3 A:GLN222 4.5 15.0 1.0 CG2 A:ILE221 4.5 10.0 1.0 CA A:SER220 4.5 10.2 1.0 HB3 A:SER220 4.5 12.0 1.0 N A:SER220 4.6 10.3 1.0 HA A:ALA218 4.6 14.4 1.0 HB2 A:ALA247 4.6 12.6 1.0 HA A:ILE221 4.7 11.7 1.0 HD12 A:ILE221 4.7 12.1 1.0 H A:ALA223 4.8 12.6 1.0 O A:SER220 4.8 10.2 1.0 N A:ALA218 4.8 12.3 1.0 HG13 A:ILE221 4.8 10.6 1.0 OE1 A:GLN222 4.8 19.5 1.0 CG1 A:ILE221 4.8 8.9 1.0 HG13 A:VAL231 4.9 18.0 1.0 HG22 A:THR235 4.9 15.6 1.0 HG21 A:ILE221 4.9 12.0 1.0 HG23 A:THR235 5.0 15.6 1.0 O A:ILE221 5.0 10.5 1.0

C.L.Tooke, P.Hinchliffe, J.Spencer. Structure of Ctx-M-15 Complexed with Benzoxaborole Ak-425 To Be Published.