Atomistry » Cadmium » PDB 4qe1-5ai3 » 4raw
Atomistry »
  Cadmium »
    PDB 4qe1-5ai3 »
      4raw »

Cadmium in PDB 4raw: Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin

Enzymatic activity of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin

All present enzymatic activity of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin:
3.5.2.6;

Protein crystallography data

The structure of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin, PDB code: 4raw was solved by Y.Kim, C.Tesar, R.Jedrzejczak, G.Babnigg, J.Sacchettini, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), Structures Of Mtbproteins Conferring Susceptibility To Known Mtb Inhibitors (Mtbi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.41 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 39.114, 78.769, 133.815, 90.00, 90.00, 90.00
R / Rfree (%) 13 / 16.1

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin (pdb code 4raw). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin, PDB code: 4raw:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in 4raw

Go back to Cadmium Binding Sites List in 4raw
Cadmium binding site 1 out of 4 in the Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd302

b:8.6
occ:0.62
 O A:HOH570 2.1 8.8 1.0
ND1 A:HIS122 2.1 8.9 1.0
NE2 A:HIS189 2.1 8.3 1.0
NE2 A:HIS120 2.2 8.1 1.0
OXT A:ZZ7301 2.4 10.0 1.0
CE1 A:HIS122 3.0 8.6 1.0
CD2 A:HIS189 3.1 7.7 1.0
CG A:HIS122 3.1 8.4 1.0
CE1 A:HIS189 3.1 7.2 1.0
CE1 A:HIS120 3.2 7.9 1.0
CD2 A:HIS120 3.2 7.4 1.0
C15 A:ZZ7301 3.3 9.7 1.0
CB A:HIS122 3.4 7.3 1.0
C14 A:ZZ7301 3.9 9.7 1.0
N3 A:ZZ7301 4.0 8.9 1.0
O4 A:ZZ7301 4.1 11.7 1.0
NE2 A:HIS122 4.1 9.4 1.0
ND1 A:HIS189 4.2 7.8 1.0
CD2 A:HIS122 4.2 8.6 1.0
CG A:HIS189 4.2 7.5 1.0
OD1 A:ASP124 4.2 8.7 1.0
CG2 A:THR190 4.3 8.1 1.0
ND1 A:HIS120 4.3 7.3 1.0
CG A:HIS120 4.3 6.5 1.0
SG A:CYS208 4.4 8.0 1.0
CB A:CYS208 4.4 8.0 1.0
CD A:CD303 4.6 9.9 0.7
C13 A:ZZ7301 4.6 8.7 1.0
O A:HOH585 4.8 30.2 1.0
CA A:HIS122 4.8 7.9 1.0
C12 A:ZZ7301 4.9 8.4 1.0

Cadmium binding site 2 out of 4 in 4raw

Go back to Cadmium Binding Sites List in 4raw
Cadmium binding site 2 out of 4 in the Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd303

b:9.9
occ:0.69
 NE2 A:HIS250 2.1 8.0 1.0
OD2 A:ASP124 2.2 9.2 1.0
O1 A:ZZ7301 2.2 9.1 1.0
N3 A:ZZ7301 2.2 8.9 1.0
SG A:CYS208 2.4 8.0 1.0
O A:HOH570 3.0 8.8 1.0
C2 A:ZZ7301 3.0 8.5 1.0
C12 A:ZZ7301 3.1 8.4 1.0
CD2 A:HIS250 3.1 7.7 1.0
CE1 A:HIS250 3.1 9.2 1.0
C13 A:ZZ7301 3.3 8.7 1.0
CG A:ASP124 3.3 8.2 1.0
CB A:CYS208 3.4 8.0 1.0
C16 A:ZZ7301 3.6 10.3 1.0
OD1 A:ASP124 3.8 8.7 1.0
C6 A:ZZ7301 3.9 9.2 1.0
CB A:SER249 4.2 8.1 1.0
ND1 A:HIS250 4.2 9.8 1.0
O2 A:ZZ7301 4.2 9.7 1.0
CG A:HIS250 4.2 9.1 1.0
C14 A:ZZ7301 4.3 9.7 1.0
OXT A:ZZ7301 4.3 10.0 1.0
S1 A:ZZ7301 4.5 10.5 1.0
CA A:CYS208 4.5 6.9 1.0
CB A:ASP124 4.5 8.4 1.0
CD A:CD302 4.6 8.6 0.6
OG A:SER249 4.6 8.0 1.0
C15 A:ZZ7301 4.8 9.7 1.0
NE2 A:HIS189 4.9 8.3 1.0
CE1 A:HIS189 4.9 7.2 1.0

Cadmium binding site 3 out of 4 in 4raw

Go back to Cadmium Binding Sites List in 4raw
Cadmium binding site 3 out of 4 in the Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd302

b:8.2
occ:0.61
 ND1 B:HIS122 2.1 7.3 1.0
O B:HOH401 2.1 8.2 1.0
NE2 B:HIS189 2.1 6.9 1.0
NE2 B:HIS120 2.2 7.9 1.0
OXT B:ZZ7301 2.4 9.2 1.0
CE1 B:HIS122 3.0 8.1 1.0
CG B:HIS122 3.1 7.3 1.0
CD2 B:HIS189 3.1 6.9 1.0
CE1 B:HIS189 3.1 7.8 1.0
CE1 B:HIS120 3.1 8.5 1.0
CD2 B:HIS120 3.2 7.3 1.0
C15 B:ZZ7301 3.3 8.7 1.0
CB B:HIS122 3.4 7.9 1.0
C14 B:ZZ7301 3.9 8.5 1.0
N3 B:ZZ7301 4.0 9.1 1.0
NE2 B:HIS122 4.1 8.9 1.0
O4 B:ZZ7301 4.2 12.2 1.0
CD2 B:HIS122 4.2 8.9 1.0
CG2 B:THR190 4.2 7.8 1.0
ND1 B:HIS189 4.2 8.4 1.0
CG B:HIS189 4.2 7.1 1.0
OD1 B:ASP124 4.2 8.0 1.0
ND1 B:HIS120 4.3 8.4 1.0
CG B:HIS120 4.3 7.0 1.0
SG B:CYS208 4.4 7.5 1.0
CB B:CYS208 4.5 6.9 1.0
C13 B:ZZ7301 4.6 8.3 1.0
CD B:CD303 4.6 8.0 0.6
O B:HOH488 4.7 16.9 1.0
CA B:HIS122 4.9 7.5 1.0
C12 B:ZZ7301 4.9 8.7 1.0

Cadmium binding site 4 out of 4 in 4raw

Go back to Cadmium Binding Sites List in 4raw
Cadmium binding site 4 out of 4 in the Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd303

b:8.0
occ:0.61
 NE2 B:HIS250 2.1 8.8 1.0
OD2 B:ASP124 2.2 8.3 1.0
O1 B:ZZ7301 2.2 9.0 1.0
N3 B:ZZ7301 2.2 9.1 1.0
SG B:CYS208 2.4 7.5 1.0
O B:HOH401 3.0 8.2 1.0
C2 B:ZZ7301 3.0 8.4 1.0
CD2 B:HIS250 3.0 9.5 1.0
C12 B:ZZ7301 3.0 8.7 1.0
CE1 B:HIS250 3.1 8.7 1.0
C13 B:ZZ7301 3.3 8.3 1.0
CG B:ASP124 3.3 7.4 1.0
CB B:CYS208 3.4 6.9 1.0
C16 B:ZZ7301 3.6 11.0 1.0
OD1 B:ASP124 3.8 8.0 1.0
C6 B:ZZ7301 3.9 9.5 1.0
CG B:HIS250 4.2 9.7 1.0
CB B:SER249 4.2 8.1 1.0
ND1 B:HIS250 4.2 8.7 1.0
O2 B:ZZ7301 4.2 10.0 1.0
C14 B:ZZ7301 4.3 8.5 1.0
OXT B:ZZ7301 4.4 9.2 1.0
CA B:CYS208 4.5 7.8 1.0
S1 B:ZZ7301 4.5 10.9 1.0
CB B:ASP124 4.5 7.3 1.0
OG B:SER249 4.6 8.0 1.0
CD B:CD302 4.6 8.2 0.6
C15 B:ZZ7301 4.8 8.7 1.0
NE2 B:HIS189 4.9 6.9 1.0
CE1 B:HIS189 4.9 7.8 1.0

Reference:

Y.Kim, C.Tesar, R.Jedrzejczak, G.Babnigg, J.Sacchettini, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), Structures Of Mtb Proteins Conferring Susceptibility Toknown Mtb Inhibitors (Mtbi). Crystal Structure of New Delhi Metallo-Beta-Lactamase-1 Mutant M67V Complexed with Hydrolyzed Ampicillin To Be Published.
Page generated: Fri Jul 19 17:56:44 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy