Chlorine in PDB 7afx: Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139, PDB code: 7afx 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)	29.14 / 1.64
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	103.251, 79.066, 67.951, 90, 130.37, 90
R / Rfree (%)	16.1 / 18.1

The structure of Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139 also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139 (pdb code 7afx). 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 VIM2 with 139, PDB code: 7afx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139


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 VIM2 with 139 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:21.2 occ:1.00 CL1 A:R9K304 0.0 21.2 1.0 C12 A:R9K304 1.7 16.8 1.0 C14 A:R9K304 2.7 16.3 1.0 C11 A:R9K304 2.7 14.0 1.0 H141 A:R9K304 2.8 19.7 1.0 HB2 A:ASN210 2.8 22.8 0.4 HB2 A:ASN210 3.1 22.8 0.6 HA3 A:GLY209 3.1 18.8 1.0 C10 A:R9K304 3.1 11.4 1.0 H051 A:R9K304 3.2 17.3 1.0 C06 A:R9K304 3.5 11.9 1.0 H A:ASN210 3.5 21.1 0.6 H A:ASN210 3.5 21.1 0.4 C05 A:R9K304 3.5 14.4 1.0 O A:HOH493 3.6 33.2 1.0 N A:ASN210 3.6 17.4 1.0 HE2 A:TYR67 3.7 17.5 1.0 C A:GLY209 3.7 15.6 1.0 HB3 A:ASN210 3.7 22.8 0.6 CB A:ASN210 3.7 18.9 0.4 CB A:ASN210 3.8 18.9 0.6 CA A:GLY209 3.8 15.6 1.0 O A:HOH582 3.8 32.7 1.0 C17 A:R9K304 4.0 12.9 1.0 C15 A:R9K304 4.0 15.9 1.0 O A:HOH577 4.0 19.6 0.4 CE2 A:TYR67 4.0 14.5 1.0 HB3 A:ASN210 4.0 22.8 0.4 HA2 A:GLY209 4.1 18.8 1.0 O A:HOH577 4.1 20.1 0.6 C09 A:R9K304 4.2 11.2 1.0 HD21 A:ASN210 4.2 27.0 0.4 HH21 A:ARG205 4.3 19.4 1.0 CA A:ASN210 4.3 17.2 0.4 CA A:ASN210 4.3 17.1 0.6 O A:GLY209 4.3 16.3 1.0 HH22 A:ARG205 4.4 19.4 1.0 CZ A:TYR67 4.5 15.2 1.0 NH2 A:ARG205 4.5 16.0 1.0 C16 A:R9K304 4.5 15.1 1.0 C07 A:R9K304 4.5 12.2 1.0 OH A:TYR67 4.5 16.7 1.0 O A:HOH453 4.6 25.6 1.0 O A:HOH566 4.6 31.9 1.0 CD2 A:TYR67 4.6 13.3 1.0 O19 A:R9K304 4.6 11.8 1.0 HA A:ASN210 4.6 20.8 0.4 C04 A:R9K304 4.7 14.9 1.0 HA A:ASN210 4.7 20.7 0.6 HD2 A:TYR67 4.7 15.4 1.0 H151 A:R9K304 4.7 19.2 1.0 H171 A:R9K304 4.8 15.5 1.0 ND2 A:ASN210 4.8 22.4 0.4 CG A:ASN210 4.8 20.8 0.4 N08 A:R9K304 4.8 11.9 1.0 C18 A:R9K304 4.9 11.5 1.0 O A:HOH443 5.0 17.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Metallo-Beta-Lactamase VIM2 with 139


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 VIM2 with 139 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:19.4 occ:1.00 CL1 B:R9K304 0.0 19.4 1.0 C12 B:R9K304 1.7 16.6 1.0 C14 B:R9K304 2.7 15.9 1.0 C11 B:R9K304 2.7 14.9 1.0 H141 B:R9K304 2.8 19.2 1.0 HB2 B:ASN210 2.9 24.7 0.5 HA3 B:GLY209 3.0 26.3 1.0 HB2 B:ASN210 3.1 24.8 0.5 C10 B:R9K304 3.2 15.1 1.0 H051 B:R9K304 3.3 20.6 1.0 H B:ASN210 3.5 23.8 0.5 C06 B:R9K304 3.5 15.6 1.0 H B:ASN210 3.5 23.8 0.5 N B:ASN210 3.6 19.7 1.0 C05 B:R9K304 3.7 17.1 1.0 C B:GLY209 3.7 21.3 1.0 O B:HOH505 3.7 31.5 1.0 CA B:GLY209 3.7 21.8 1.0 HE2 B:TYR67 3.8 19.3 1.0 HB3 B:ASN210 3.8 24.8 0.5 CB B:ASN210 3.8 20.5 0.5 CB B:ASN210 3.8 20.6 0.5 O B:HOH572 3.9 33.3 1.0 O B:HOH414 3.9 22.8 0.5 C15 B:R9K304 4.0 14.9 1.0 HA2 B:GLY209 4.0 26.3 1.0 C17 B:R9K304 4.0 13.5 1.0 HD22 B:ASN210 4.1 29.1 0.5 HB3 B:ASN210 4.1 24.7 0.5 CE2 B:TYR67 4.2 16.0 1.0 C09 B:R9K304 4.2 14.4 1.0 HH21 B:ARG205 4.2 25.4 1.0 CA B:ASN210 4.3 19.6 0.5 HH22 B:ARG205 4.3 25.4 1.0 CA B:ASN210 4.3 19.7 0.5 O B:GLY209 4.4 21.0 1.0 HH B:TYR67 4.4 23.2 1.0 NH2 B:ARG205 4.5 21.1 1.0 C16 B:R9K304 4.5 13.7 1.0 C07 B:R9K304 4.6 15.7 1.0 O20 B:R9K304 4.6 13.8 1.0 CZ B:TYR67 4.7 17.3 1.0 HA B:ASN210 4.7 23.7 0.5 HA B:ASN210 4.7 23.7 0.5 O B:HOH555 4.7 39.9 1.0 OH B:TYR67 4.7 19.3 1.0 CD2 B:TYR67 4.7 14.7 1.0 H151 B:R9K304 4.7 18.0 1.0 C04 B:R9K304 4.8 17.6 1.0 ND2 B:ASN210 4.8 24.2 0.5 HD2 B:TYR67 4.8 17.8 1.0 H171 B:R9K304 4.8 16.3 1.0 CG B:ASN210 4.8 22.8 0.5 N08 B:R9K304 4.9 14.4 1.0 O A:HOH453 4.9 25.6 1.0 C18 B:R9K304 4.9 13.8 1.0 N B:GLY209 5.0 20.4 1.0

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