Sodium in PDB 8r7m: Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester

All present enzymatic activity of Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester:
3.5.2.6;

The structure of Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester, PDB code: 8r7m was solved by N.Werner, A.Prester, W.Hinrichs, M.Perbandt, C.Betzel, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.62 / 1.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.775, 62.104, 86.508, 90, 90, 90
R / Rfree (%)	12.9 / 13.8

The binding sites of Sodium atom in the Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester (pdb code 8r7m). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total only one binding site of Sodium was determined in the Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester, PDB code: 8r7m:

Sodium binding site 1 out of 1 in the Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Ctx-M14 in Complex with Boric Acid and 1,2-Diol Boric Ester within 5.0Å range: probe atom residue distance (Å) B Occ A:Na308 b:26.4 occ:1.00 HA A:ALA125 2.7 7.6 1.0 O A:HOH492 2.7 9.0 1.0 O A:HOH513 2.8 11.3 1.0 HG13 A:ILE108 2.8 9.9 1.0 HD1 A:TYR129 3.0 8.8 1.0 HB2 A:ALA125 3.1 8.0 1.0 HG21 A:ILE108 3.1 9.4 1.0 CA A:ALA125 3.4 6.3 1.0 HE1 A:TYR129 3.4 9.9 1.0 N A:ALA125 3.5 6.5 1.0 CD1 A:TYR129 3.5 7.4 1.0 CB A:ALA125 3.6 6.7 1.0 CG1 A:ILE108 3.7 8.2 1.0 CE1 A:TYR129 3.7 8.3 1.0 H A:ALA125 3.8 7.8 1.0 C A:ALA124 3.8 6.7 1.0 HB3 A:ALA124 3.9 9.3 1.0 HD12 A:ILE108 3.9 11.1 1.0 HB1 A:ALA124 3.9 9.3 1.0 HB1 A:ALA125 4.0 8.0 1.0 O A:ALA124 4.0 7.0 1.0 HD11 A:ILE108 4.0 11.1 1.0 CG2 A:ILE108 4.0 7.9 1.0 CD1 A:ILE108 4.1 9.2 1.0 CB A:ALA124 4.3 7.8 1.0 HG12 A:ILE108 4.3 9.9 1.0 HG23 A:ILE108 4.3 9.4 1.0 CB A:ILE108 4.4 7.8 1.0 HB2 A:GLN128 4.4 7.9 1.0 HB3 A:ALA125 4.5 8.0 1.0 O A:GLU121 4.5 6.8 1.0 HB A:ILE108 4.6 9.4 1.0 HB2 A:TYR129 4.6 8.2 1.0 CG A:TYR129 4.7 7.2 1.0 HG22 A:ILE108 4.7 9.4 1.0 CA A:ALA124 4.7 7.2 1.0 C A:ALA125 4.7 6.1 1.0 CZ A:TYR129 4.9 9.6 1.0

A.Prester, N.Werner, W.Hinrichs, M.Perbandt, C.Betzel. Time-Resolved Crystallography of Boric Acid Binding to the Active Site Serine of the Beta-Lactamase Ctx-M-14 and Subsequent 1,2-Diol Esterification To Be Published.