Chlorine in PDB 7afy: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306, PDB code: 7afy was solved by J.Brem, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.18 / 1.11
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.648, 68.015, 40.236, 90, 92.94, 90
R / Rfree (%)	12.6 / 14.5

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306 also contains other interesting chemical elements:

Sodium	(Na)	2 atoms
Zinc	(Zn)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306 (pdb code 7afy). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306, PDB code: 7afy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:16.1 occ:0.70 CL1 A:RBW301 0.0 16.1 0.7 H181 A:RBW301 0.7 18.1 0.3 C18 A:RBW301 1.6 15.1 0.3 C25 A:RBW301 1.7 13.8 0.7 C19 A:RBW301 2.5 16.9 0.3 O24 A:RBW301 2.5 21.6 0.3 C17 A:RBW301 2.6 13.7 0.3 H202 A:RBW301 2.7 22.9 0.3 H201 A:RBW301 2.7 20.4 0.7 C27 A:RBW301 2.7 11.5 0.7 C19 A:RBW301 2.7 14.3 0.7 H271 A:RBW301 2.7 13.8 0.7 H171 A:RBW301 2.8 16.4 0.3 C20 A:RBW301 2.9 19.1 0.3 HE1 A:TYR67 3.0 14.7 1.0 C20 A:RBW301 3.1 17.0 0.7 S21 A:RBW301 3.2 21.0 0.3 HA2 A:GLY209 3.4 17.2 1.0 O23 A:RBW301 3.4 18.4 0.7 CE1 A:TYR67 3.8 12.3 1.0 C25 A:RBW301 3.8 17.2 0.3 H201 A:RBW301 3.8 22.9 0.3 C16 A:RBW301 3.9 12.8 0.3 S21 A:RBW301 3.9 18.9 0.7 H202 A:RBW301 4.0 20.4 0.7 C16 A:RBW301 4.0 10.7 0.7 C18 A:RBW301 4.0 14.0 0.7 O A:HOH440 4.0 27.4 1.0 O23 A:RBW301 4.1 21.1 0.3 CA A:GLY209 4.3 14.3 1.0 O A:HOH661 4.4 33.9 1.0 C27 A:RBW301 4.4 14.6 0.3 HD1 A:TYR67 4.4 13.8 1.0 C17 A:RBW301 4.5 11.8 0.7 H223 A:RBW301 4.5 24.8 0.3 CD1 A:TYR67 4.5 11.5 1.0 OH A:TYR67 4.5 13.7 1.0 C22 A:RBW301 4.6 20.7 0.3 OG A:SER207 4.6 27.2 0.3 C A:GLY209 4.6 14.3 1.0 CZ A:TYR67 4.6 11.9 1.0 HG A:SER207 4.7 32.7 0.3 H131 A:RBW301 4.7 13.2 0.7 H181 A:RBW301 4.7 16.8 0.7 H131 A:RBW301 4.7 13.0 0.3 H A:GLY209 4.7 18.5 1.0 O A:HOH704 4.8 32.7 0.7 HA3 A:GLY209 4.9 17.2 1.0 O24 A:RBW301 4.9 19.9 0.7 O A:GLY209 4.9 16.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 1306 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:20.5 occ:0.30 CL1 A:RBW301 0.0 20.5 0.3 H181 A:RBW301 0.8 16.8 0.7 C18 A:RBW301 1.6 14.0 0.7 C25 A:RBW301 1.8 17.2 0.3 H202 A:RBW301 2.3 20.4 0.7 O A:HOH508 2.3 16.8 0.7 H201 A:RBW301 2.4 22.9 0.3 C19 A:RBW301 2.5 14.3 0.7 C19 A:RBW301 2.7 16.9 0.3 C17 A:RBW301 2.7 11.8 0.7 C27 A:RBW301 2.7 14.6 0.3 C20 A:RBW301 2.7 17.0 0.7 HB2 A:HIS240 2.8 11.4 1.0 O A:HOH666 2.8 22.4 1.0 H271 A:RBW301 2.8 17.5 0.3 H171 A:RBW301 2.9 14.1 0.7 H223 A:RBW301 2.9 21.3 0.7 H221 A:RBW301 2.9 21.3 0.7 C20 A:RBW301 2.9 19.1 0.3 C22 A:RBW301 3.2 17.7 0.7 HB3 A:HIS240 3.3 11.4 1.0 O A:HOH495 3.4 13.0 1.0 CB A:HIS240 3.4 9.5 1.0 H221 A:RBW301 3.5 24.8 0.3 H201 A:RBW301 3.6 20.4 0.7 S21 A:RBW301 3.6 18.9 0.7 H202 A:RBW301 3.7 22.9 0.3 H223 A:RBW301 3.7 24.8 0.3 HD1 A:HIS201 3.7 18.8 1.0 C25 A:RBW301 3.8 13.8 0.7 C22 A:RBW301 3.9 20.7 0.3 O A:HOH704 3.9 32.7 0.7 C18 A:RBW301 4.0 15.1 0.3 C16 A:RBW301 4.0 10.7 0.7 HE1 A:HIS201 4.0 20.6 1.0 C16 A:RBW301 4.0 12.8 0.3 CG A:HIS240 4.1 8.5 1.0 S21 A:RBW301 4.1 21.0 0.3 H222 A:RBW301 4.2 21.3 0.7 C27 A:RBW301 4.4 11.5 0.7 ND1 A:HIS201 4.4 15.6 1.0 C17 A:RBW301 4.5 13.7 0.3 O A:HIS240 4.5 10.0 1.0 CE1 A:HIS201 4.5 17.2 1.0 O24 A:RBW301 4.5 19.9 0.7 HA2 A:GLY209 4.6 17.2 1.0 CD2 A:HIS240 4.6 8.3 1.0 HD2 A:HIS240 4.7 9.9 1.0 H181 A:RBW301 4.7 18.1 0.3 O A:HOH610 4.7 36.5 1.0 O23 A:RBW301 4.7 18.4 0.7 CA A:HIS240 4.7 9.1 1.0 C A:HIS240 4.7 9.6 1.0 HA3 A:GLY209 4.7 17.2 1.0 ND1 A:HIS240 4.9 9.0 1.0 H222 A:RBW301 4.9 24.8 0.3 HD1 A:TYR67 4.9 13.8 1.0 HG2 A:GLU202 5.0 15.7 1.0 O A:HOH457 5.0 11.2 1.0

J.Brem, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139 To Be Published.