Chlorine in PDB 4fsb: Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A

The structure of Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A, PDB code: 4fsb was solved by K.Herzog, K.M.Hoffmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.06 / 1.88
Space group	I 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	67.020, 80.130, 77.639, 90.00, 91.71, 90.00
R / Rfree (%)	14.7 / 19.5

The structure of Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A (pdb code 4fsb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A, PDB code: 4fsb:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A


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 Vim-31 in Its Oxidized Form at 1.88 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:55.3 occ:1.00 O A:HOH630 2.7 24.4 1.0 N A:GLY155 3.4 19.2 1.0 OG A:SER157 3.5 27.8 1.0 CA A:GLY155 3.8 18.8 1.0 CB A:SER157 3.9 23.5 1.0 O A:HOH426 4.1 12.8 1.0 N A:SER157 4.2 18.1 1.0 N A:LEU156 4.2 16.4 1.0 C A:GLY155 4.4 16.8 1.0 C A:GLU154 4.6 19.7 1.0 CA A:SER157 4.7 20.1 1.0 CA A:GLU154 4.9 21.7 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A


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 Vim-31 in Its Oxidized Form at 1.88 A within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:40.2 occ:1.00 N A:GLY166 2.9 14.8 1.0 CD A:ARG164 3.6 21.4 1.0 CA A:GLY166 3.7 15.5 1.0 CA A:PHE165 3.8 15.3 1.0 C A:PHE165 3.8 14.9 1.0 NE A:ARG164 4.0 20.4 1.0 O A:ARG164 4.0 16.0 1.0 N A:PHE165 4.2 15.7 1.0 C A:ARG164 4.2 16.2 1.0 CG A:ARG164 4.8 20.5 1.0 CZ A:ARG164 4.8 20.4 1.0 O A:GLY166 4.8 14.2 1.0 C A:GLY166 4.8 14.3 1.0 NH1 A:ARG107 4.8 25.1 1.0 O A:PHE165 4.9 14.5 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl303 b:55.9 occ:1.00 O B:HOH614 2.8 31.4 1.0 N B:GLY155 3.2 24.3 1.0 CA B:GLY155 3.8 23.0 1.0 C B:GLU154 4.2 24.1 1.0 OG B:SER157 4.2 23.8 1.0 CA B:GLU154 4.3 25.5 1.0 CB B:GLU154 4.3 31.5 1.0 O B:HOH413 4.4 17.2 1.0 CB B:SER157 4.6 23.0 1.0 N B:LEU156 4.7 19.0 1.0 C B:GLY155 4.7 21.3 1.0 O B:HOH581 4.7 42.3 1.0 CG B:GLU154 5.0 36.6 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Metallo-Beta-Lactamase Vim-31 in Its Oxidized Form at 1.88 A within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:53.2 occ:1.00 O B:HOH556 2.7 32.2 1.0 N B:GLY166 3.1 19.6 1.0 CA B:GLY166 3.9 20.1 1.0 CA B:PHE165 4.0 18.1 1.0 C B:PHE165 4.0 19.6 1.0 CD B:ARG164 4.0 46.1 1.0 NE B:ARG164 4.2 51.6 1.0 NH1 B:ARG107 4.3 24.3 1.0 O B:ARG164 4.3 19.8 1.0 N B:PHE165 4.6 19.8 1.0 C B:ARG164 4.6 21.7 1.0 CZ B:ARG164 4.8 54.4 1.0 NH2 B:ARG107 4.8 29.9 1.0 O B:HOH577 5.0 32.4 1.0

M.B.Kupper, K.Herzog, S.Bennink, P.Schlomer, P.Bogaerts, Y.Glupczynski, R.Fischer, C.Bebrone, K.M.Hoffmann. The Three-Dimensional Structure of Vim-31 - A Metallo-Beta-Lactamase From Enterobacter Cloacae in Its Native and Oxidized Form. Febs J. V. 282 2352 2015.
ISSN: ISSN 1742-464X
PubMed: 25825035
DOI: 10.1111/FEBS.13283