Chlorine in PDB 8pam: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2652

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2652, PDB code: 8pam was solved by K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.06 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.477, 67.903, 40.284, 90, 93.58, 90
R / Rfree (%)	11.1 / 13.2

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2652 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2652 (pdb code 8pam). 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 2652, PDB code: 8pam:
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 2652


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 2652 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:28.0 occ:0.28 CL14 A:XZR303 0.0 28.0 0.3 H211 A:XZR303 0.4 23.4 0.7 C21 A:XZR303 1.5 19.5 0.7 C13 A:XZR303 1.8 25.1 0.3 H161 A:XZR303 2.5 25.6 0.7 HB2 A:HIS240 2.5 14.7 1.0 C22 A:XZR303 2.5 17.1 0.7 O A:HOH494 2.5 16.1 0.7 C15 A:XZR303 2.6 19.5 0.7 H221 A:XZR303 2.6 20.5 0.7 H161 A:XZR303 2.7 29.9 0.3 C12 A:XZR303 2.7 22.6 0.3 C15 A:XZR303 2.8 24.3 0.3 H121 A:XZR303 2.8 27.1 0.3 H182 A:XZR303 2.8 28.9 0.7 H183 A:XZR303 2.9 30.6 0.3 C16 A:XZR303 2.9 21.4 0.7 O A:HOH683 3.0 26.6 1.0 H182 A:XZR303 3.1 30.6 0.3 C16 A:XZR303 3.1 24.9 0.3 HB3 A:HIS240 3.2 14.7 1.0 CB A:HIS240 3.2 12.2 1.0 H181 A:XZR303 3.2 28.9 0.7 O A:HOH526 3.3 12.3 1.0 C18 A:XZR303 3.4 24.1 0.7 C18 A:XZR303 3.4 25.5 0.3 HE1 A:HIS201 3.7 24.4 1.0 CG A:HIS240 3.8 11.2 1.0 C11 A:XZR303 3.8 15.4 0.7 C13 A:XZR303 3.8 18.6 0.7 S17 A:XZR303 3.8 24.7 0.7 H162 A:XZR303 3.9 25.6 0.7 S17 A:XZR303 4.0 25.9 0.3 C11 A:XZR303 4.0 20.6 0.3 C21 A:XZR303 4.1 22.9 0.3 H162 A:XZR303 4.1 29.9 0.3 ND1 A:HIS201 4.1 18.8 1.0 HD2 A:HIS240 4.2 13.3 1.0 CD2 A:HIS240 4.2 11.1 1.0 CE1 A:HIS201 4.2 20.4 1.0 C12 A:XZR303 4.3 16.6 0.7 O A:HIS240 4.4 11.1 1.0 H183 A:XZR303 4.4 28.9 0.7 H181 A:XZR303 4.4 30.6 0.3 CA A:HIS240 4.5 10.2 1.0 C22 A:XZR303 4.5 21.8 0.3 O A:HOH476 4.5 10.3 0.9 HA2 A:GLY209 4.6 25.4 1.0 ND1 A:HIS240 4.6 12.2 1.0 C A:HIS240 4.6 10.2 1.0 HA3 A:GLY209 4.7 25.4 1.0 O08 A:XZR303 4.8 14.2 0.7 HD1 A:HIS240 4.8 14.6 1.0 O20 A:XZR303 4.8 25.1 0.7 O19 A:XZR303 4.9 26.2 0.7 H211 A:XZR303 4.9 27.4 0.3 O08 A:XZR303 4.9 14.2 0.3 H A:HIS240 5.0 11.3 1.0 HG2 A:GLU202 5.0 14.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2652


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 2652 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:19.3 occ:0.72 CL14 A:XZR303 0.0 19.3 0.7 H211 A:XZR303 0.7 27.4 0.3 C21 A:XZR303 1.6 22.9 0.3 C13 A:XZR303 1.8 18.6 0.7 H162 A:XZR303 2.3 29.9 0.3 C15 A:XZR303 2.5 24.3 0.3 C22 A:XZR303 2.7 21.8 0.3 C12 A:XZR303 2.7 16.6 0.7 C15 A:XZR303 2.7 19.5 0.7 H162 A:XZR303 2.7 25.6 0.7 C16 A:XZR303 2.8 24.9 0.3 H121 A:XZR303 2.9 19.9 0.7 H221 A:XZR303 2.9 26.1 0.3 HE2 A:TYR67 3.1 16.2 1.0 C16 A:XZR303 3.2 21.4 0.7 O A:HOH642 3.3 34.4 0.7 O19 A:XZR303 3.3 26.2 0.7 O19 A:XZR303 3.5 25.8 0.3 HA2 A:GLY209 3.5 25.4 1.0 O A:HOH742 3.5 43.2 1.0 H161 A:XZR303 3.8 29.9 0.3 S17 A:XZR303 3.8 25.9 0.3 C13 A:XZR303 3.8 25.1 0.3 CE2 A:TYR67 3.9 13.5 1.0 C11 A:XZR303 3.9 20.6 0.3 S17 A:XZR303 4.0 24.7 0.7 C11 A:XZR303 4.0 15.4 0.7 C21 A:XZR303 4.0 19.5 0.7 O A:HOH643 4.1 29.2 0.8 O A:HOH438 4.1 33.9 0.9 H161 A:XZR303 4.2 25.6 0.7 C12 A:XZR303 4.4 22.6 0.3 CA A:GLY209 4.4 21.2 1.0 HD2 A:TYR67 4.4 16.0 1.0 C22 A:XZR303 4.5 17.1 0.7 H241 A:XZR303 4.6 16.7 0.7 O20 A:XZR303 4.6 25.8 0.3 H241 A:XZR303 4.6 20.7 0.3 OH A:TYR67 4.6 15.2 1.0 CD2 A:TYR67 4.6 13.3 1.0 C A:GLY209 4.7 21.6 1.0 CZ A:TYR67 4.7 13.0 1.0 H211 A:XZR303 4.9 23.4 0.7 HA3 A:GLY209 4.9 25.4 1.0 O20 A:XZR303 4.9 25.1 0.7 HG A:SER207 4.9 42.7 1.0 H A:GLY209 5.0 26.0 1.0

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2652 To Be Published.