Chlorine in PDB 8pah: Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2596

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2596, PDB code: 8pah 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)	34.18 / 1.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	39.58, 68.11, 40.33, 90, 93.42, 90
R / Rfree (%)	12 / 13.1

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2596 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 2596 (pdb code 8pah). 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 2596, PDB code: 8pah:
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 2596


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 2596 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:22.0 occ:0.49 CL24 A:XM8303 0.0 22.0 0.5 H311 A:XM8303 0.7 19.6 0.5 C31 A:XM8303 1.3 16.4 0.5 C23 A:XM8303 1.7 20.0 0.5 H261 A:XM8303 1.8 22.0 0.5 C25 A:XM8303 1.9 17.1 0.5 C26 A:XM8303 2.2 18.4 0.5 H262 A:XM8303 2.5 26.2 0.5 C32 A:XM8303 2.6 15.5 0.5 C22 A:XM8303 2.7 17.9 0.5 C25 A:XM8303 2.7 20.2 0.5 O A:HOH476 2.7 18.5 0.7 H221 A:XM8303 2.8 21.4 0.5 C26 A:XM8303 3.0 21.8 0.5 H321 A:XM8303 3.1 18.6 0.5 O A:HOH642 3.1 21.1 0.7 H262 A:XM8303 3.1 22.0 0.5 O29 A:XM8303 3.2 19.6 0.5 HB2 A:HIS240 3.2 13.6 1.0 C23 A:XM8303 3.3 17.1 0.5 S27 A:XM8303 3.3 19.2 0.5 O30 A:XM8303 3.5 24.2 0.5 HB3 A:HIS240 3.7 13.6 1.0 C21 A:XM8303 3.7 14.6 0.5 CB A:HIS240 3.8 11.3 1.0 O A:HOH509 3.9 13.3 0.9 HE1 A:HIS201 3.9 19.2 0.7 S27 A:XM8303 3.9 24.0 0.5 C21 A:XM8303 3.9 16.7 0.5 C22 A:XM8303 4.0 15.4 0.5 H261 A:XM8303 4.0 26.2 0.5 C31 A:XM8303 4.0 18.8 0.5 H282 A:XM8303 4.1 23.7 0.5 O30 A:XM8303 4.3 19.4 0.5 HA2 A:GLY209 4.3 23.2 1.0 CG A:HIS240 4.3 11.0 1.0 C28 A:XM8303 4.4 19.7 0.5 ND1 A:HIS201 4.4 15.0 0.7 CE1 A:HIS201 4.5 16.0 0.7 C32 A:XM8303 4.5 17.6 0.5 HA3 A:GLY209 4.6 23.2 1.0 H282 A:XM8303 4.6 29.4 0.5 CL24 A:XM8303 4.7 18.0 0.5 HD1 A:TYR67 4.7 16.2 1.0 CD2 A:HIS240 4.8 11.4 1.0 HD2 A:HIS240 4.9 13.7 1.0 H311 A:XM8303 4.9 22.6 0.5 C28 A:XM8303 4.9 24.5 0.5 CA A:GLY209 4.9 19.3 1.0 O19 A:XM8303 4.9 14.3 0.5

Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM1 with 2596


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 2596 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:18.0 occ:0.52 CL24 A:XM8303 0.0 18.0 0.5 H311 A:XM8303 0.7 22.6 0.5 C31 A:XM8303 1.4 18.8 0.5 C23 A:XM8303 1.7 17.1 0.5 C25 A:XM8303 2.0 20.2 0.5 H261 A:XM8303 2.0 26.2 0.5 C26 A:XM8303 2.2 21.8 0.5 O29 A:XM8303 2.6 24.9 0.5 C22 A:XM8303 2.6 15.4 0.5 C32 A:XM8303 2.7 17.6 0.5 H221 A:XM8303 2.7 18.5 0.5 H262 A:XM8303 2.7 22.0 0.5 C25 A:XM8303 2.8 17.1 0.5 S27 A:XM8303 2.9 24.0 0.5 HE1 A:TYR67 3.0 17.4 1.0 H321 A:XM8303 3.1 21.1 0.5 C26 A:XM8303 3.2 18.4 0.5 H262 A:XM8303 3.3 26.2 0.5 C23 A:XM8303 3.3 20.0 0.5 HA2 A:GLY209 3.4 23.2 1.0 O A:HOH646 3.5 38.5 0.8 O30 A:XM8303 3.5 19.4 0.5 C21 A:XM8303 3.8 16.7 0.5 O30 A:XM8303 3.9 24.2 0.5 CE1 A:TYR67 3.9 14.5 1.0 C21 A:XM8303 3.9 14.6 0.5 S27 A:XM8303 4.0 19.2 0.5 C31 A:XM8303 4.0 16.4 0.5 C22 A:XM8303 4.1 17.9 0.5 O A:HOH467 4.1 27.4 0.7 H261 A:XM8303 4.2 22.0 0.5 CA A:GLY209 4.3 19.3 1.0 H281 A:XM8303 4.3 29.4 0.5 C28 A:XM8303 4.4 24.5 0.5 C32 A:XM8303 4.5 15.5 0.5 OH A:TYR67 4.5 15.6 1.0 HG A:SER207 4.5 37.9 0.3 HD1 A:TYR67 4.6 16.2 1.0 CL24 A:XM8303 4.7 22.0 0.5 HG A:SER207 4.7 36.7 0.7 H341 A:XM8303 4.7 18.7 0.5 C A:GLY209 4.7 19.1 1.0 H341 A:XM8303 4.7 16.3 0.5 CZ A:TYR67 4.7 14.0 1.0 CD1 A:TYR67 4.7 13.5 1.0 H A:GLY209 4.8 24.4 1.0 HA3 A:GLY209 4.8 23.2 1.0 H283 A:XM8303 4.9 29.4 0.5 H283 A:XM8303 4.9 23.7 0.5 H311 A:XM8303 4.9 19.6 0.5 O A:HOH418 5.0 22.2 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 2596 To Be Published.