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Cadmium in PDB 1mqo: Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution

Enzymatic activity of Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution

All present enzymatic activity of Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution:
3.5.2.6;

Protein crystallography data

The structure of Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution, PDB code: 1mqo was solved by I.Garcia-Saez, L.Chantalat, O.Dideberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 1.35
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 53.260, 61.380, 69.650, 90.00, 93.24, 90.00
R / Rfree (%) 22.2 / 24.8

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution (pdb code 1mqo). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 3 binding sites of Cadmium where determined in the Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution, PDB code: 1mqo:
Jump to Cadmium binding site number: 1; 2; 3;

Cadmium binding site 1 out of 3 in 1mqo

Go back to Cadmium Binding Sites List in 1mqo
Cadmium binding site 1 out of 3 in the Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1

b:7.7
occ:0.65
CD A:CD3 1.1 16.3 0.3
O3 A:CIT300 2.2 23.1 1.0
ND1 A:HIS118 2.3 10.9 1.0
OD2 A:ASP120 2.3 13.8 1.0
NE2 A:HIS116 2.3 9.0 1.0
NE2 A:HIS196 2.4 8.3 1.0
O4 A:CIT300 2.5 19.4 1.0
C5 A:CIT300 2.8 19.6 1.0
OD1 A:ASP120 2.9 14.0 1.0
CG A:ASP120 2.9 12.1 1.0
CG A:HIS118 3.2 9.2 1.0
CE1 A:HIS116 3.3 7.5 1.0
CE1 A:HIS118 3.3 10.3 1.0
CB A:HIS118 3.4 10.3 1.0
CE1 A:HIS196 3.4 8.9 1.0
CD2 A:HIS116 3.4 7.8 1.0
CD2 A:HIS196 3.4 8.3 1.0
CD A:CD2 4.2 12.5 1.0
C4 A:CIT300 4.3 19.8 1.0
CD2 A:HIS118 4.4 10.6 1.0
NE2 A:HIS118 4.4 10.0 1.0
ND1 A:HIS116 4.4 8.7 1.0
SG A:CYS221 4.4 11.9 1.0
CB A:ASP120 4.4 11.8 1.0
O A:HOH323 4.5 19.4 1.0
CG A:HIS116 4.5 6.2 1.0
ND1 A:HIS196 4.5 9.3 1.0
CG A:HIS196 4.6 8.2 1.0
CB A:CYS221 4.7 8.8 1.0
O A:HOH335 4.7 16.2 1.0
CG2 A:THR197 4.8 8.5 1.0
CA A:HIS118 4.8 9.9 1.0
ND2 A:ASN233 4.9 16.0 1.0
O6 A:CIT300 5.0 19.8 1.0
C6 A:CIT300 5.0 20.5 1.0

Cadmium binding site 2 out of 3 in 1mqo

Go back to Cadmium Binding Sites List in 1mqo
Cadmium binding site 2 out of 3 in the Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd3

b:16.3
occ:0.35
CD A:CD1 1.1 7.7 0.7
NE2 A:HIS116 2.0 9.0 1.0
O3 A:CIT300 2.1 23.1 1.0
NE2 A:HIS196 2.3 8.3 1.0
CE1 A:HIS116 2.5 7.5 1.0
OD1 A:ASP120 2.6 14.0 1.0
OD2 A:ASP120 2.9 13.8 1.0
C5 A:CIT300 3.0 19.6 1.0
CD2 A:HIS196 3.1 8.3 1.0
CG A:ASP120 3.1 12.1 1.0
O4 A:CIT300 3.2 19.4 1.0
CE1 A:HIS196 3.3 8.9 1.0
ND1 A:HIS118 3.3 10.9 1.0
SG A:CYS221 3.3 11.9 1.0
CD2 A:HIS116 3.3 7.8 1.0
CD A:CD2 3.5 12.5 1.0
CB A:CYS221 3.7 8.8 1.0
ND1 A:HIS116 3.8 8.7 1.0
CB A:HIS118 4.1 10.3 1.0
O A:HOH335 4.1 16.2 1.0
CG A:HIS118 4.1 9.2 1.0
CG A:HIS116 4.2 6.2 1.0
CG A:HIS196 4.2 8.2 1.0
CE1 A:HIS118 4.3 10.3 1.0
ND1 A:HIS196 4.3 9.3 1.0
O6 A:CIT300 4.4 19.8 1.0
C4 A:CIT300 4.5 19.8 1.0
CB A:ASP120 4.6 11.8 1.0
C6 A:CIT300 4.7 20.5 1.0
CG A:ARG121 4.8 11.1 1.0

Cadmium binding site 3 out of 3 in 1mqo

Go back to Cadmium Binding Sites List in 1mqo
Cadmium binding site 3 out of 3 in the Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Metallo-Beta-Lactamase Bcii Cd Substituted From Bacillus Cereus at 1.35 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd2

b:12.5
occ:1.00
O6 A:CIT300 2.2 19.8 1.0
NE2 A:HIS263 2.3 12.2 1.0
O3 A:CIT300 2.3 23.1 1.0
SG A:CYS221 2.4 11.9 1.0
O A:HOH335 2.4 16.2 1.0
O7 A:CIT300 2.6 21.4 1.0
C6 A:CIT300 3.0 20.5 1.0
C5 A:CIT300 3.2 19.6 1.0
CE1 A:HIS263 3.2 12.2 1.0
CD2 A:HIS263 3.3 11.9 1.0
C3 A:CIT300 3.3 20.5 1.0
CD A:CD3 3.5 16.3 0.3
C4 A:CIT300 3.5 19.8 1.0
CB A:CYS221 3.5 8.8 1.0
OD1 A:ASP120 3.8 14.0 1.0
O5 A:CIT300 4.2 19.7 1.0
CD A:CD1 4.2 7.7 0.7
CG A:ASP120 4.3 12.1 1.0
O A:HOH347 4.3 17.4 1.0
ND1 A:HIS263 4.4 11.8 1.0
CG A:HIS263 4.4 11.6 1.0
O4 A:CIT300 4.4 19.4 1.0
NE2 A:HIS196 4.5 8.3 1.0
NH2 A:ARG121 4.5 13.8 1.0
CE1 A:HIS196 4.5 8.9 1.0
CA A:CYS221 4.6 9.6 1.0
O1 A:CIT300 4.6 22.5 1.0
OD2 A:ASP120 4.7 13.8 1.0
C2 A:CIT300 4.7 22.2 1.0
NE A:ARG121 4.8 11.6 1.0
CB A:ASP120 4.9 11.8 1.0
CE1 A:HIS116 5.0 7.5 1.0

Reference:

I.Garcia-Saez, L.Chantalat, O.Dideberg. High Resolution Structure of the Cd Substituted Bcii From Bacillus Cereus To Be Published.
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