Sodium in PDB 4c1e: Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril

All present enzymatic activity of Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril:
3.5.2.6;

The structure of Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril, PDB code: 4c1e was solved by D.Zollman, J.Brem, M.A.Mcdonough, S.S.Vanberkel, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.210 / 1.40
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.921, 79.034, 67.229, 90.00, 131.63, 90.00
R / Rfree (%)	13.17 / 16.72

The structure of Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Sodium atom in the Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril (pdb code 4c1e). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril, PDB code: 4c1e:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril within 5.0Å range: probe atom residue distance (Å) B Occ A:Na300 b:20.2 occ:0.80 OE1 A:GLU171 2.0 18.0 1.0 O A:HOH2188 2.1 22.3 1.0 NE2 A:HIS229 2.1 20.0 1.0 O A:HOH2189 2.3 22.5 1.0 CD A:GLU171 2.7 17.1 1.0 OE2 A:GLU171 2.7 19.3 1.0 CD2 A:HIS229 3.0 19.4 1.0 CE1 A:HIS229 3.2 20.2 1.0 OH A:TYR230 4.1 17.2 1.0 CG A:GLU171 4.1 14.1 1.0 CE1 A:TYR230 4.1 14.2 1.0 CG A:HIS229 4.2 18.6 1.0 O A:HOH2258 4.2 22.5 1.0 ND1 A:HIS229 4.2 20.5 1.0 CB A:ALA164 4.3 14.5 1.0 CZ A:TYR230 4.4 15.0 1.0 O A:HOH2257 4.6 37.5 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Metallo-Beta-Lactamase Vim-2 with D-Captopril within 5.0Å range: probe atom residue distance (Å) B Occ B:Na300 b:21.4 occ:0.80 O B:HOH2155 2.1 24.4 1.0 OE1 B:GLU171 2.1 20.6 1.0 O B:HOH2154 2.1 21.9 1.0 NE2 B:HIS229 2.2 22.3 1.0 OE2 B:GLU171 2.6 22.4 1.0 CD B:GLU171 2.6 19.8 1.0 CD2 B:HIS229 2.9 21.2 1.0 CE1 B:HIS229 3.3 22.3 1.0 CG B:GLU171 4.1 17.4 1.0 CG B:HIS229 4.1 19.1 1.0 CE1 B:TYR230 4.2 15.3 1.0 OH B:TYR230 4.2 17.7 1.0 O B:HOH2209 4.2 23.3 1.0 O B:HOH2208 4.3 32.0 1.0 ND1 B:HIS229 4.3 21.4 1.0 CZ B:TYR230 4.5 16.4 1.0 CB B:ALA164 4.5 15.1 1.0 O B:HOH2148 4.9 33.3 1.0 O B:HIS229 4.9 14.3 1.0 CB B:GLU171 5.0 15.5 1.0

J.Brem, S.S.Vanberkel, D.Zollman, C.J.Schofield. B1 Mbl Inhibitor Structures. To Be Published.