Chlorine in PDB 8pal: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2651

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2651, PDB code: 8pal 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)	28.98 / 1.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.5, 67.885, 40.253, 90, 93.24, 90
R / Rfree (%)	11.7 / 14

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2651 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 2651 (pdb code 8pal). 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 2651, PDB code: 8pal:
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 2651


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 2651 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:19.4 occ:0.47 CL24 A:XM8303 0.0 19.4 0.5 H311 A:XM8303 0.9 21.9 0.5 C31 A:XM8303 1.4 18.3 0.5 C23 A:XM8303 1.8 17.9 0.5 C25 A:XM8303 1.9 20.4 0.5 H261 A:XM8303 1.9 27.1 0.5 C26 A:XM8303 2.1 22.6 0.5 O30 A:XM8303 2.4 27.9 0.5 H262 A:XM8303 2.6 23.6 0.5 C22 A:XM8303 2.7 15.1 0.5 C32 A:XM8303 2.7 17.0 0.5 S27 A:XM8303 2.8 26.6 0.5 C25 A:XM8303 2.8 18.2 0.5 H221 A:XM8303 2.8 18.1 0.5 HE2 A:TYR67 3.0 18.2 1.0 C26 A:XM8303 3.1 19.6 0.5 H262 A:XM8303 3.2 27.1 0.5 H321 A:XM8303 3.2 20.4 0.5 C23 A:XM8303 3.2 21.2 0.5 O A:HOH537 3.3 55.3 0.8 O A:HOH629 3.3 40.6 0.8 O29 A:XM8303 3.4 22.5 0.5 HA2 A:GLY209 3.4 23.7 1.0 C21 A:XM8303 3.8 16.9 0.5 O29 A:XM8303 3.8 28.7 0.5 CE2 A:TYR67 3.8 15.2 1.0 S27 A:XM8303 3.9 20.9 0.5 H281 A:XM8303 4.0 29.7 0.5 C21 A:XM8303 4.0 14.4 0.5 C22 A:XM8303 4.0 19.2 0.5 C31 A:XM8303 4.0 17.6 0.5 C28 A:XM8303 4.1 24.8 0.5 H261 A:XM8303 4.1 23.6 0.5 O A:HOH480 4.1 28.5 0.8 O A:HOH657 4.2 38.0 1.0 CA A:GLY209 4.4 19.7 1.0 OH A:TYR67 4.5 17.0 1.0 HD2 A:TYR67 4.5 17.8 1.0 HG A:SER207 4.5 43.0 1.0 C32 A:XM8303 4.5 16.0 0.5 CL24 A:XM8303 4.6 23.5 0.5 H341 A:XM8303 4.6 17.3 0.5 CZ A:TYR67 4.6 14.7 1.0 CD2 A:TYR67 4.6 14.8 1.0 OG A:SER207 4.7 35.8 1.0 C A:GLY209 4.7 20.1 1.0 H283 A:XM8303 4.7 29.7 0.5 H341 A:XM8303 4.7 17.1 0.5 H282 A:XM8303 4.8 29.7 0.5 O30 A:XM8303 4.8 22.1 0.5 H A:GLY209 4.8 24.6 1.0 HA3 A:GLY209 4.9 23.7 1.0 H311 A:XM8303 4.9 21.2 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2651


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 2651 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:23.5 occ:0.53 CL24 A:XM8303 0.0 23.5 0.5 H311 A:XM8303 0.6 21.2 0.5 C31 A:XM8303 1.2 17.6 0.5 C23 A:XM8303 1.8 21.2 0.5 C25 A:XM8303 1.8 18.2 0.5 H261 A:XM8303 1.9 23.6 0.5 C26 A:XM8303 2.2 19.6 0.5 C32 A:XM8303 2.5 16.0 0.5 H262 A:XM8303 2.6 27.1 0.5 H283 A:XM8303 2.6 22.0 0.5 C22 A:XM8303 2.7 19.2 0.5 C25 A:XM8303 2.8 20.4 0.5 H221 A:XM8303 2.8 23.0 0.5 O A:HOH466 2.8 18.0 0.7 H321 A:XM8303 3.0 19.2 0.5 H283 A:XM8303 3.0 29.7 0.5 C26 A:XM8303 3.1 22.6 0.5 C28 A:XM8303 3.1 18.3 0.5 H262 A:XM8303 3.2 23.6 0.5 H281 A:XM8303 3.2 29.7 0.5 O A:HOH676 3.2 22.8 0.9 C23 A:XM8303 3.2 17.9 0.5 H282 A:XM8303 3.2 22.0 0.5 S27 A:XM8303 3.2 20.9 0.5 HB2 A:HIS240 3.3 15.5 1.0 C28 A:XM8303 3.4 24.8 0.5 C21 A:XM8303 3.6 14.4 0.5 HB3 A:HIS240 3.7 15.5 1.0 C22 A:XM8303 3.9 15.1 0.5 CB A:HIS240 3.9 12.9 1.0 S27 A:XM8303 3.9 26.6 0.5 O A:HOH508 4.0 13.3 0.9 C21 A:XM8303 4.0 16.9 0.5 HD1 A:HIS201 4.0 25.2 0.4 C31 A:XM8303 4.0 18.3 0.5 H261 A:XM8303 4.0 27.1 0.5 HE1 A:HIS201 4.1 25.7 1.0 H281 A:XM8303 4.2 22.0 0.5 O29 A:XM8303 4.2 22.5 0.5 HA2 A:GLY209 4.2 23.7 1.0 O30 A:XM8303 4.3 22.1 0.5 CG A:HIS240 4.4 12.6 1.0 H282 A:XM8303 4.5 29.7 0.5 C32 A:XM8303 4.5 17.0 0.5 HA3 A:GLY209 4.5 23.7 1.0 ND1 A:HIS201 4.6 21.0 1.0 CL24 A:XM8303 4.6 19.4 0.5 HD2 A:TYR67 4.6 17.8 1.0 CE1 A:HIS201 4.6 21.4 1.0 CD2 A:HIS240 4.8 13.1 1.0 HD2 A:HIS240 4.8 15.7 1.0 CA A:GLY209 4.8 19.7 1.0 O18 A:XM8303 4.8 13.8 0.5 O29 A:XM8303 4.9 28.7 0.5 H311 A:XM8303 4.9 21.9 0.5 H221 A:XM8303 5.0 18.1 0.5 C20 A:XM8303 5.0 12.7 0.5

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2651 To Be Published.