Zinc in PDB 6lbl: Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor

All present enzymatic activity of Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor:
3.5.2.6;

The structure of Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor, PDB code: 6lbl was solved by J.Wachino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.39 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	35.920, 56.610, 100.620, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 20.8

The structure of Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor (pdb code 6lbl). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor, PDB code: 6lbl:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:18.1 occ:1.00 NE2 A:HIS139 2.0 16.0 1.0 N1 A:NO9304 2.0 19.9 1.0 NE2 A:HIS77 2.0 17.5 1.0 ND1 A:HIS79 2.0 18.1 1.0 CD2 A:HIS139 3.0 16.9 1.0 CD2 A:HIS77 3.0 15.3 1.0 CE1 A:HIS139 3.0 17.7 1.0 CG A:HIS79 3.0 17.6 1.0 CE1 A:HIS79 3.0 16.8 1.0 S A:NO9304 3.0 36.0 1.0 O3 A:NO9304 3.1 30.3 1.0 CE1 A:HIS77 3.1 17.5 1.0 CB A:HIS79 3.3 17.7 1.0 ZN A:ZN302 3.5 22.1 1.0 SG A:CYS158 3.7 19.8 1.0 O2 A:NO9304 3.8 36.2 1.0 O4 A:NO9304 3.8 20.4 1.0 OD1 A:ASP81 3.8 21.2 1.0 CB A:CYS158 3.8 20.4 1.0 ND1 A:HIS139 4.1 16.6 1.0 CG A:HIS139 4.1 15.8 1.0 NE2 A:HIS79 4.1 17.3 1.0 CG A:HIS77 4.2 14.4 1.0 CD2 A:HIS79 4.2 19.7 1.0 ND1 A:HIS77 4.2 15.9 1.0 OD2 A:ASP81 4.4 21.6 1.0 C1 A:NO9304 4.5 32.9 1.0 CG A:ASP81 4.5 18.1 1.0 C5 A:NO9304 4.5 17.5 1.0 CG2 A:THR140 4.6 17.4 1.0 CA A:HIS79 4.7 15.8 1.0 C2 A:NO9304 5.0 34.9 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Imp-1 Metallo-Beta-Lactamase in Complex with NO9 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn302 b:22.1 occ:1.00 N1 A:NO9304 2.0 19.9 1.0 OD2 A:ASP81 2.1 21.6 1.0 NE2 A:HIS197 2.1 17.7 1.0 O4 A:NO9304 2.1 20.4 1.0 SG A:CYS158 2.4 19.8 1.0 S A:NO9304 3.0 36.0 1.0 C1 A:NO9304 3.0 32.9 1.0 C5 A:NO9304 3.1 17.5 1.0 CD2 A:HIS197 3.1 18.1 1.0 CG A:ASP81 3.1 18.1 1.0 CE1 A:HIS197 3.1 20.4 1.0 C2 A:NO9304 3.2 34.9 1.0 CB A:CYS158 3.5 20.4 1.0 ZN A:ZN301 3.5 18.1 1.0 OD1 A:ASP81 3.5 21.2 1.0 O3 A:NO9304 3.9 30.3 1.0 C3 A:NO9304 4.0 39.5 1.0 O2 A:NO9304 4.0 36.2 1.0 C4 A:NO9304 4.1 37.5 1.0 NE2 A:HIS139 4.2 16.0 1.0 ND1 A:HIS197 4.2 20.4 1.0 CG A:HIS197 4.2 17.4 1.0 O5 A:NO9304 4.2 24.3 1.0 CB A:ASP81 4.4 18.0 1.0 NE2 A:HIS77 4.4 17.5 1.0 CE1 A:HIS77 4.5 17.5 1.0 O1 A:NO9304 4.6 40.8 1.0 CB A:SER196 4.6 17.2 1.0 CE1 A:HIS139 4.6 17.7 1.0 CA A:CYS158 4.6 18.1 1.0 OG A:SER196 4.8 17.3 1.0 CD A:LYS33 5.0 20.6 1.0

J.Wachino, J.Wachino. N/A N/A.