Chlorine in PDB 8pa3: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2500

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2500, PDB code: 8pa3 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)	40.31 / 1.07
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.51, 68.03, 40.4, 90, 93.74, 90
R / Rfree (%)	12.4 / 14.3

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2500 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 2500 (pdb code 8pa3). 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 2500, PDB code: 8pa3:
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 2500


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 2500 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:16.2 occ:0.59 CL31 A:XNT303 0.0 16.2 0.6 H231 A:XNT303 0.5 18.9 0.4 C23 A:XNT303 1.5 15.8 0.4 C30 A:XNT303 1.8 17.4 0.6 C24 A:XNT303 2.5 19.2 0.4 O28 A:XNT303 2.6 27.1 0.4 H252 A:XNT303 2.6 27.6 0.4 C22 A:XNT303 2.6 13.7 0.4 C32 A:XNT303 2.7 17.2 0.6 H321 A:XNT303 2.8 20.6 0.6 H251 A:XNT303 2.8 21.2 0.6 C24 A:XNT303 2.8 16.8 0.6 C25 A:XNT303 2.8 23.0 0.4 H221 A:XNT303 2.9 16.4 0.4 HE1 A:TYR67 3.1 16.7 1.0 C25 A:XNT303 3.2 17.6 0.6 S26 A:XNT303 3.2 28.4 0.4 O28 A:XNT303 3.4 17.9 0.6 HA2 A:GLY209 3.4 20.0 1.0 O A:HOH664 3.5 40.1 0.9 C30 A:XNT303 3.8 21.6 0.4 C21 A:XNT303 3.9 12.9 0.4 H251 A:XNT303 3.9 27.6 0.4 S26 A:XNT303 3.9 17.1 0.6 O29 A:XNT303 3.9 27.6 0.4 C21 A:XNT303 4.0 16.0 0.6 CE1 A:TYR67 4.0 13.9 1.0 C23 A:XNT303 4.0 17.3 0.6 O A:HOH473 4.1 24.7 0.6 H252 A:XNT303 4.2 21.2 0.6 O A:HOH647 4.3 30.5 1.0 C32 A:XNT303 4.3 15.6 0.4 CA A:GLY209 4.3 16.7 1.0 C22 A:XNT303 4.5 15.8 0.6 H341 A:XNT303 4.5 15.7 0.4 H341 A:XNT303 4.6 20.1 0.6 HD1 A:TYR67 4.6 15.8 1.0 OH A:TYR67 4.6 15.9 1.0 C A:GLY209 4.7 16.2 1.0 HG A:SER207 4.7 35.0 0.9 CD1 A:TYR67 4.8 13.1 1.0 C27 A:XNT303 4.8 27.4 0.4 O A:HOH423 4.8 21.3 0.4 CZ A:TYR67 4.8 13.3 1.0 HA3 A:GLY209 4.9 20.0 1.0 O29 A:XNT303 4.9 18.6 0.6 H A:GLY209 4.9 22.1 1.0 H231 A:XNT303 4.9 20.8 0.6 H272 A:XNT303 5.0 32.9 0.4

Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2500


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 2500 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:30.5 occ:0.41 CL31 A:XNT303 0.0 30.5 0.4 H231 A:XNT303 0.4 20.8 0.6 C23 A:XNT303 1.5 17.3 0.6 C30 A:XNT303 1.8 21.6 0.4 H272 A:XNT303 2.3 18.1 0.6 H252 A:XNT303 2.5 21.2 0.6 C22 A:XNT303 2.5 15.8 0.6 O A:HOH524 2.5 14.4 0.5 C24 A:XNT303 2.5 16.8 0.6 HB2 A:HIS240 2.5 13.7 1.0 H251 A:XNT303 2.6 27.6 0.4 C32 A:XNT303 2.7 15.6 0.4 H221 A:XNT303 2.7 19.0 0.6 H321 A:XNT303 2.8 18.7 0.4 C24 A:XNT303 2.8 19.2 0.4 C25 A:XNT303 2.9 17.6 0.6 C25 A:XNT303 3.2 23.0 0.4 O A:HOH519 3.2 11.9 0.9 O A:HOH615 3.3 18.6 0.6 C27 A:XNT303 3.3 15.1 0.6 HB3 A:HIS240 3.3 13.7 1.0 CB A:HIS240 3.3 11.4 1.0 HE1 A:HIS201 3.6 25.1 1.0 H273 A:XNT303 3.7 18.1 0.6 C30 A:XNT303 3.8 17.4 0.6 S26 A:XNT303 3.8 17.1 0.6 C21 A:XNT303 3.8 16.0 0.6 CG A:HIS240 3.8 10.7 1.0 H251 A:XNT303 3.9 21.2 0.6 ND1 A:HIS201 4.0 18.9 1.0 C21 A:XNT303 4.0 12.9 0.4 O29 A:XNT303 4.0 27.6 0.4 H271 A:XNT303 4.0 18.1 0.6 H252 A:XNT303 4.0 27.6 0.4 C23 A:XNT303 4.1 15.8 0.4 CE1 A:HIS201 4.1 20.9 1.0 O A:HOH512 4.2 37.3 0.7 S26 A:XNT303 4.2 28.4 0.4 HD2 A:HIS240 4.2 13.2 1.0 CD2 A:HIS240 4.3 11.0 1.0 C32 A:XNT303 4.3 17.2 0.6 O A:HIS240 4.4 10.5 1.0 O A:HOH484 4.5 10.8 0.9 C22 A:XNT303 4.6 13.7 0.4 CA A:HIS240 4.6 11.0 1.0 HA3 A:GLY209 4.6 20.0 1.0 HA2 A:GLY209 4.6 20.0 1.0 C A:HIS240 4.7 10.3 1.0 O28 A:XNT303 4.7 17.9 0.6 ND1 A:HIS240 4.8 11.2 1.0 O18 A:XNT303 4.8 13.8 0.6 O29 A:XNT303 4.8 18.6 0.6 O18 A:XNT303 4.8 12.9 0.4 H272 A:XNT303 4.9 32.9 0.4 O A:HOH523 4.9 11.4 0.6 H273 A:XNT303 4.9 32.9 0.4 HG2 A:GLU202 4.9 13.6 1.0 H231 A:XNT303 5.0 18.9 0.4 C27 A:XNT303 5.0 27.4 0.4

K.Calvopina, J.Brem, A.J.M.Farley, M.D.Allen, C.J.Schofield. Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2500 To Be Published.