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

Enzymatic activity of 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;

Protein crystallography data

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

Other elements in 6lbl:

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

Zinc Binding Sites:

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 6lbl

Go back to Zinc Binding Sites List in 6lbl
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 6lbl

Go back to Zinc Binding Sites List in 6lbl
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

Reference:

J.Wachino, J.Wachino. N/A N/A.
Page generated: Wed Dec 16 12:14:11 2020

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