Chlorine in PDB 5nde: Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222

All present enzymatic activity of Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222:
3.5.2.6;

The structure of Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222, PDB code: 5nde was solved by P.Hinchliffe, J.Spencer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.26 / 1.70
Space group	P 42 2 2
Cell size a, b, c (Å), α, β, γ (°)	130.740, 130.740, 100.860, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 17.3

The structure of Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222 also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222 (pdb code 5nde). 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 Metallo-Beta-Lactamase Spm-1 in Space Group P4222, PDB code: 5nde:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222


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 Metallo-Beta-Lactamase Spm-1 in Space Group P4222 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl412 b:74.4 occ:1.00 NZ A:LYS306 3.5 75.7 1.0 O A:HOH588 3.6 39.3 1.0 ND2 A:ASN302 3.6 36.1 1.0 CE A:LYS306 3.6 69.6 1.0 O A:HOH721 3.8 46.6 1.0 CB A:ASN302 4.1 24.9 1.0 O A:HOH533 4.3 48.6 1.0 CG A:ASN302 4.4 34.1 1.0 O A:HOH719 4.5 51.5 1.0 O A:HOH732 4.7 47.7 1.0 CD A:LYS306 5.0 51.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Metallo-Beta-Lactamase Spm-1 in Space Group P4222


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 Metallo-Beta-Lactamase Spm-1 in Space Group P4222 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl413 b:68.9 occ:1.00 O A:HOH666 3.3 56.7 1.0 N A:ASP144 3.5 65.8 1.0 CB A:ASP144 4.1 71.4 1.0 CA A:LYS143 4.1 63.8 1.0 CB A:LYS143 4.2 63.0 1.0 C A:LYS143 4.3 62.5 1.0 CA A:ASP144 4.4 60.5 1.0 CG A:LYS143 4.5 71.0 1.0 CD A:LYS147 4.9 0.4 1.0

M.I.Abboud, M.Kosmopoulou, A.P.Krismanich, J.W.Johnson, P.Hinchliffe, J.Brem, T.D.W.Claridge, J.Spencer, C.J.Schofield, G.I.Dmitrienko. Cyclobutanone Mimics of Intermediates in Metallo-Beta-Lactamase Catalysis. Chemistry V. 24 5734 2018.
ISSN: ISSN 1521-3765
PubMed: 29250863
DOI: 10.1002/CHEM.201705886