Chlorine in PDB 7a5z: Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product

The structure of Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product, PDB code: 7a5z was solved by A.Lucic, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.88 / 1.29
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.647, 74.68, 78.766, 90, 90, 90
R / Rfree (%)	14 / 15.8

The structure of Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Magnesium	(Mg)	1 atom
Zinc	(Zn)	3 atoms

The binding sites of Chlorine atom in the Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product (pdb code 7a5z). 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 Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product, PDB code: 7a5z:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl305 b:17.4 occ:1.00 ZN A:ZN302 2.2 12.9 0.8 HA A:ALA132 3.0 14.8 1.0 O A:HOH554 3.2 24.8 1.0 HB2 A:ALA132 3.2 16.0 1.0 NE2 A:HIS153 3.3 15.7 1.0 HB1 A:ALA132 3.5 16.0 1.0 HD2 A:HIS153 3.6 17.3 1.0 CB A:ALA132 3.6 13.3 1.0 CL A:CL306 3.7 17.5 1.0 CA A:ALA132 3.8 12.3 1.0 CD2 A:HIS153 3.8 14.4 1.0 HG21 A:THR152 3.8 19.4 1.0 O A:HOH466 4.2 14.8 1.0 HG22 A:THR152 4.4 19.4 1.0 H A:THR133 4.4 12.8 1.0 HB A:THR152 4.5 15.3 1.0 CG2 A:THR152 4.5 16.2 1.0 CE1 A:HIS153 4.5 16.2 1.0 O A:HOH448 4.5 21.8 1.0 HG1 A:THR152 4.5 20.8 1.0 HB3 A:ALA132 4.6 16.0 1.0 N A:ALA132 4.7 11.9 1.0 O A:HOH557 4.8 44.4 1.0 HE1 A:HIS153 4.8 19.5 1.0 O A:VAL131 4.8 14.8 1.0 C A:ALA132 4.9 13.1 1.0 CB A:THR152 4.9 12.7 1.0 N A:THR133 4.9 10.7 1.0

Chlorine binding site 2 out of 2 in the Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Vim-2 Metallo-Beta-Lactamase with Hydrolysed Faropenem Imine Product within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl306 b:17.5 occ:1.00 ZN A:ZN302 2.2 12.9 0.8 O A:HOH434 3.1 23.4 1.0 HB2 A:ALA132 3.2 16.0 1.0 HB1 A:ALA132 3.5 16.0 1.0 NE2 A:HIS153 3.5 15.7 1.0 CL A:CL305 3.7 17.4 1.0 CB A:ALA132 3.8 13.3 1.0 HE1 A:HIS153 3.8 19.5 1.0 CE1 A:HIS153 4.0 16.2 1.0 HB3 A:ALA132 4.2 16.0 1.0 OH A:TYR134 4.6 19.9 1.0 CD2 A:HIS153 4.6 14.4 1.0 O A:HOH579 4.6 36.4 1.0 HH A:TYR134 4.9 23.9 1.0 HD2 A:HIS153 4.9 17.3 1.0

A.Lucic, P.Hinchliffe, T.R.Malla, C.L.Tooke, J.Brem, K.Calvopina, C.T.Lohans, P.Rabe, M.A.Mcdonough, T.Armistead, A.M.Orville, J.Spencer, C.J.Schofield. Faropenem Reacts with Serine and Metallo-Beta-Lactamases to Give Multiple Products Eur.J.Med.Chem. 2021.
ISSN: ISSN 0223-5234
DOI: 10.1016/J.EJMECH.2021.113257