Atomistry » Zinc » PDB 1jao-1joe » 1jje
Atomistry »
  Zinc »
    PDB 1jao-1joe »
      1jje »

Zinc in PDB 1jje: Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)

Enzymatic activity of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)

All present enzymatic activity of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11):
3.5.2.6;

Protein crystallography data

The structure of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11), PDB code: 1jje was solved by P.M.D.Fitzgerald, N.Sharma, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 10.00 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 71.440, 43.240, 64.230, 90.00, 100.93, 90.00
R / Rfree (%) 20.1 / 29.1

Zinc Binding Sites:

The binding sites of Zinc atom in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) (pdb code 1jje). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 6 binding sites of Zinc where determined in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11), PDB code: 1jje:
Jump to Zinc binding site number: 1; 2; 3; 4; 5; 6;

Zinc binding site 1 out of 6 in 1jje

Go back to Zinc Binding Sites List in 1jje
Zinc binding site 1 out of 6 in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn251

b:21.9
occ:1.00
 NE2 A:HIS139 2.0 19.6 1.0
O3 A:BYS250 2.0 21.6 1.0
ND1 A:HIS79 2.1 23.7 1.0
NE2 A:HIS77 2.1 17.8 1.0
O4 A:BYS250 2.7 19.8 1.0
C2 A:BYS250 2.7 16.5 1.0
CE1 A:HIS139 3.0 19.0 1.0
CG A:HIS79 3.0 22.7 1.0
CD2 A:HIS139 3.0 17.0 1.0
CD2 A:HIS77 3.0 18.9 1.0
CE1 A:HIS79 3.0 25.2 1.0
CE1 A:HIS77 3.1 20.5 1.0
CB A:HIS79 3.3 21.0 1.0
ZN A:ZN252 3.6 20.7 1.0
OD1 A:ASP81 3.9 23.5 1.0
SG A:CYS158 3.9 20.8 1.0
CB A:CYS158 4.1 22.5 1.0
O14 A:BYS250 4.1 26.0 1.0
ND1 A:HIS139 4.1 24.5 1.0
CD2 A:HIS79 4.1 31.5 1.0
CG A:HIS139 4.1 24.6 1.0
NE2 A:HIS79 4.1 32.9 1.0
C1 A:BYS250 4.2 24.3 1.0
CG A:HIS77 4.2 18.6 1.0
ND1 A:HIS77 4.2 19.5 1.0
OD2 A:ASP81 4.4 23.8 1.0
CG A:ASP81 4.6 21.9 1.0
C13 A:BYS250 4.6 23.8 1.0
CG2 A:THR140 4.6 19.9 1.0
CA A:HIS79 4.7 18.3 1.0
C7 A:BYS250 4.8 26.8 1.0
C6 A:BYS250 4.9 25.4 1.0

Zinc binding site 2 out of 6 in 1jje

Go back to Zinc Binding Sites List in 1jje
Zinc binding site 2 out of 6 in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn252

b:20.7
occ:1.00
 OD2 A:ASP81 2.0 23.8 1.0
O3 A:BYS250 2.1 21.6 1.0
NE2 A:HIS197 2.2 21.8 1.0
SG A:CYS158 2.3 20.8 1.0
O14 A:BYS250 2.3 26.0 1.0
C2 A:BYS250 2.9 16.5 1.0
CG A:ASP81 3.1 21.9 1.0
CD2 A:HIS197 3.1 23.7 1.0
CE1 A:HIS197 3.1 15.4 1.0
C1 A:BYS250 3.2 24.3 1.0
C13 A:BYS250 3.3 23.8 1.0
CB A:CYS158 3.4 22.5 1.0
OD1 A:ASP81 3.5 23.5 1.0
ZN A:ZN251 3.6 21.9 1.0
C12 A:BYS250 3.7 19.9 1.0
O4 A:BYS250 4.0 19.8 1.0
C16 A:BYS250 4.2 19.7 1.0
ND1 A:HIS197 4.2 19.4 1.0
CG A:HIS197 4.3 17.4 1.0
NE2 A:HIS139 4.3 19.6 1.0
CE1 A:HIS77 4.4 20.5 1.0
NE2 A:HIS77 4.4 17.8 1.0
O15 A:BYS250 4.4 26.0 1.0
CB A:SER196 4.4 19.1 1.0
CB A:ASP81 4.4 19.1 1.0
CA A:CYS158 4.5 19.4 1.0
C5 A:BYS250 4.6 19.7 1.0
CE1 A:HIS139 4.6 19.0 1.0
OG A:SER196 4.6 18.2 1.0
CD A:LYS33 4.7 16.2 1.0
CE A:LYS33 4.8 18.8 1.0
C6 A:BYS250 4.9 25.4 1.0
C11 A:BYS250 5.0 30.9 1.0

Zinc binding site 3 out of 6 in 1jje

Go back to Zinc Binding Sites List in 1jje
Zinc binding site 3 out of 6 in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn261

b:21.9
occ:1.00
 O A:ACT260 1.8 47.5 1.0
O A:HOH1031 2.1 28.4 1.0
NE2 A:HIS34 2.1 21.9 1.0
OE2 A:GLU199 2.3 25.0 1.0
OE1 A:GLU199 2.4 20.2 1.0
C A:ACT260 2.5 22.4 1.0
OXT A:ACT260 2.6 41.3 1.0
CD A:GLU199 2.7 25.9 1.0
CE1 A:HIS34 3.0 23.8 1.0
CD2 A:HIS34 3.1 18.1 1.0
OG1 A:THR20 3.9 21.8 1.0
CH3 A:ACT260 4.0 22.1 1.0
CG2 A:THR20 4.1 28.1 1.0
NZ A:LYS8 4.1 18.1 1.0
ND1 A:HIS34 4.2 24.3 1.0
CG A:GLU199 4.2 16.8 1.0
CG A:HIS34 4.2 21.3 1.0
OE1 A:GLU10 4.6 43.0 1.0
CB A:THR20 4.6 22.3 1.0
O A:HOH1034 4.7 28.9 1.0

Zinc binding site 4 out of 6 in 1jje

Go back to Zinc Binding Sites List in 1jje
Zinc binding site 4 out of 6 in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn251

b:24.3
occ:1.00
 NE2 B:HIS139 2.0 17.9 1.0
O3 B:BYS250 2.0 25.1 1.0
ND1 B:HIS79 2.1 24.8 1.0
NE2 B:HIS77 2.1 24.3 1.0
O4 B:BYS250 2.7 21.5 1.0
C2 B:BYS250 2.7 24.4 1.0
CD2 B:HIS139 2.9 15.3 1.0
CE1 B:HIS139 3.0 25.0 1.0
CG B:HIS79 3.1 26.9 1.0
CE1 B:HIS79 3.1 21.9 1.0
CD2 B:HIS77 3.1 30.0 1.0
CE1 B:HIS77 3.1 31.0 1.0
CB B:HIS79 3.4 29.0 1.0
ZN B:ZN252 3.6 21.3 1.0
OD1 B:ASP81 3.9 24.7 1.0
SG B:CYS158 3.9 21.3 1.0
O14 B:BYS250 4.0 27.7 1.0
CG B:HIS139 4.1 20.2 1.0
ND1 B:HIS139 4.1 22.1 1.0
CB B:CYS158 4.1 25.1 1.0
NE2 B:HIS79 4.2 23.0 1.0
CD2 B:HIS79 4.2 21.8 1.0
ND1 B:HIS77 4.2 35.2 1.0
C1 B:BYS250 4.2 18.9 1.0
CG B:HIS77 4.2 26.0 1.0
OD2 B:ASP81 4.5 19.7 1.0
CG2 B:THR140 4.5 29.4 1.0
C13 B:BYS250 4.5 27.2 1.0
CG B:ASP81 4.6 27.5 1.0
CA B:HIS79 4.8 21.4 1.0
C7 B:BYS250 4.9 24.1 1.0
C6 B:BYS250 4.9 21.0 1.0

Zinc binding site 5 out of 6 in 1jje

Go back to Zinc Binding Sites List in 1jje
Zinc binding site 5 out of 6 in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 5 of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn252

b:21.3
occ:1.00
 OD2 B:ASP81 2.0 19.7 1.0
O3 B:BYS250 2.1 25.1 1.0
NE2 B:HIS197 2.1 27.2 1.0
SG B:CYS158 2.3 21.3 1.0
O14 B:BYS250 2.3 27.7 1.0
C2 B:BYS250 2.9 24.4 1.0
CG B:ASP81 3.1 27.5 1.0
CD2 B:HIS197 3.1 21.2 1.0
CE1 B:HIS197 3.1 25.0 1.0
C1 B:BYS250 3.2 18.9 1.0
C13 B:BYS250 3.4 27.2 1.0
CB B:CYS158 3.4 25.1 1.0
OD1 B:ASP81 3.5 24.7 1.0
ZN B:ZN251 3.6 24.3 1.0
C12 B:BYS250 3.8 21.3 1.0
O4 B:BYS250 4.0 21.5 1.0
C16 B:BYS250 4.2 24.7 1.0
ND1 B:HIS197 4.2 21.5 1.0
CG B:HIS197 4.3 26.3 1.0
CE1 B:HIS77 4.3 31.0 1.0
NE2 B:HIS139 4.3 17.9 1.0
NE2 B:HIS77 4.4 24.3 1.0
CB B:ASP81 4.4 19.6 1.0
CB B:SER196 4.5 19.5 1.0
O15 B:BYS250 4.5 21.4 1.0
CA B:CYS158 4.6 21.5 1.0
C5 B:BYS250 4.6 22.3 1.0
C11 B:BYS250 4.7 19.4 1.0
CD B:LYS33 4.7 13.4 1.0
OG B:SER196 4.8 19.2 1.0
CE1 B:HIS139 4.8 25.0 1.0
C6 B:BYS250 4.8 21.0 1.0
CE B:LYS33 4.9 14.6 1.0

Zinc binding site 6 out of 6 in 1jje

Go back to Zinc Binding Sites List in 1jje
Zinc binding site 6 out of 6 in the Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 6 of Imp-1 Metallo Beta-Lactamase From Pseudomonas Aeruginosa in Complex with A Biaryl Succinic Acid Inhibitor (11) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn261

b:20.6
occ:1.00
 O B:ACT260 1.9 30.4 1.0
O B:HOH1019 1.9 23.9 1.0
NE2 B:HIS34 2.1 25.3 1.0
OE2 B:GLU199 2.2 30.4 1.0
OE1 B:GLU199 2.3 22.1 1.0
C B:ACT260 2.6 20.1 1.0
CD B:GLU199 2.6 24.8 1.0
OXT B:ACT260 2.7 38.7 1.0
CD2 B:HIS34 3.0 29.6 1.0
CE1 B:HIS34 3.1 38.0 1.0
O B:HOH1044 3.3 31.8 1.0
CH3 B:ACT260 4.1 21.9 1.0
OG1 B:THR20 4.1 19.6 1.0
CG B:GLU199 4.2 24.6 1.0
ND1 B:HIS34 4.2 30.8 1.0
CG B:HIS34 4.2 23.9 1.0
CG2 B:THR20 4.5 25.0 1.0
OE1 B:GLU10 4.7 35.4 1.0
CB B:THR20 4.9 24.1 1.0

Reference:

J.H.Toney, G.G.Hammond, P.M.Fitzgerald, N.Sharma, J.M.Balkovec, G.P.Rouen, S.H.Olson, M.L.Hammond, M.L.Greenlee, Y.D.Gao. Succinic Acids As Potent Inhibitors of Plasmid-Borne Imp-1 Metallo-Beta-Lactamase. J.Biol.Chem. V. 276 31913 2001.
ISSN: ISSN 0021-9258
PubMed: 11390410
DOI: 10.1074/JBC.M104742200
Page generated: Sun Oct 13 03:35:06 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy