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Chlorine in PDB 4hky: New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem

Enzymatic activity of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem

All present enzymatic activity of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem:
3.5.2.6;

Protein crystallography data

The structure of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem, PDB code: 4hky was solved by Y.Kim, C.Tesar, R.Jedrzejczak, J.Babnigg, J.Mire, J.Sacchettini, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), Structures Of Mtb Proteins Conferring Susceptibility To Known Mtbinhibitors (Mtbi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.12 / 2.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 145.627, 39.324, 75.370, 90.00, 99.96, 90.00
R / Rfree (%) 20.4 / 25.1

Other elements in 4hky:

The structure of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem also contains other interesting chemical elements:

Cadmium (Cd) 6 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem (pdb code 4hky). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem, PDB code: 4hky:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4hky

Go back to Chlorine Binding Sites List in 4hky
Chlorine binding site 1 out of 4 in the New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl306

b:57.5
occ:1.00
 N A:LYS242 2.8 58.8 1.0
C A:PHE240 3.1 49.4 1.0
CA A:PHE240 3.2 47.4 1.0
N A:PRO241 3.3 50.4 1.0
CD A:PRO241 3.4 50.1 1.0
CA A:LYS242 3.4 62.1 1.0
CB A:LYS242 3.5 62.9 1.0
N A:ALA243 3.5 55.6 1.0
O A:PHE240 3.5 50.2 1.0
CB A:PHE240 3.7 46.9 1.0
C A:LYS242 3.7 63.0 1.0
C A:PRO241 3.9 58.6 1.0
CA A:PRO241 4.2 52.2 1.0
CG A:PRO241 4.2 51.9 1.0
CB A:ALA243 4.3 52.5 1.0
CA A:ALA243 4.4 55.0 1.0
O A:LYS242 4.5 66.0 1.0
N A:PHE240 4.6 45.9 1.0
CG A:LYS242 4.7 64.9 1.0
CG A:PHE240 4.7 52.9 1.0
CD1 A:PHE240 4.7 44.4 1.0
O A:ALA239 4.7 35.6 1.0
CB A:PRO241 4.9 52.6 1.0
O A:PRO241 5.0 61.2 1.0

Chlorine binding site 2 out of 4 in 4hky

Go back to Chlorine Binding Sites List in 4hky
Chlorine binding site 2 out of 4 in the New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl307

b:74.3
occ:1.00
 N A:LYS216 3.5 58.2 1.0
CB A:ALA215 3.8 58.4 1.0
CA A:ALA215 3.8 57.7 1.0
C A:ALA215 4.1 58.4 1.0
N A:SER217 4.4 61.1 1.0
CA A:LYS216 4.5 59.6 0.6
CB A:LYS216 4.6 60.5 1.0
OG A:SER217 4.7 61.0 1.0
O A:HOH435 4.7 44.1 1.0
O A:SER217 4.8 62.8 1.0
C A:LYS216 4.9 62.1 1.0

Chlorine binding site 3 out of 4 in 4hky

Go back to Chlorine Binding Sites List in 4hky
Chlorine binding site 3 out of 4 in the New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl308

b:54.9
occ:1.00
 O B:HOH475 2.4 54.8 1.0
N B:LYS242 3.1 39.3 1.0
C B:PHE240 3.3 28.5 1.0
CA B:PHE240 3.3 25.9 1.0
CB B:LYS242 3.5 43.5 1.0
N B:ALA243 3.5 38.4 1.0
N B:PRO241 3.6 30.5 1.0
CA B:LYS242 3.7 43.0 1.0
CB B:PHE240 3.7 25.4 1.0
O B:PHE240 3.7 30.6 1.0
CD B:PRO241 3.8 28.6 1.0
C B:LYS242 4.0 45.0 1.0
C B:PRO241 4.2 40.8 1.0
O B:HOH437 4.3 39.5 1.0
CG B:LYS242 4.4 46.0 1.0
O B:HOH421 4.4 42.1 1.0
CB B:ALA243 4.4 30.3 1.0
CA B:PRO241 4.4 35.4 1.0
CD1 B:PHE240 4.5 27.8 1.0
CA B:ALA243 4.5 34.9 1.0
CG B:PRO241 4.5 31.9 1.0
CG B:PHE240 4.6 26.2 1.0
N B:PHE240 4.7 26.0 1.0
O B:ALA239 4.8 30.8 1.0
CD B:LYS242 5.0 49.9 0.5

Chlorine binding site 4 out of 4 in 4hky

Go back to Chlorine Binding Sites List in 4hky
Chlorine binding site 4 out of 4 in the New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl309

b:66.4
occ:1.00
 N B:LYS216 3.6 43.6 1.0
CE B:LYS216 3.7 64.5 1.0
OG B:SER217 4.0 49.6 1.0
CB B:LYS216 4.1 47.3 1.0
N B:SER217 4.1 40.5 1.0
CB B:ALA215 4.2 41.8 1.0
CA B:LYS216 4.3 46.3 1.0
CA B:ALA215 4.4 47.5 1.0
C B:ALA215 4.4 42.3 1.0
NZ B:LYS216 4.5 69.9 1.0
C B:LYS216 4.6 48.3 1.0
CG B:LYS216 4.8 51.5 1.0
O B:SER217 4.8 45.7 1.0
CD B:LYS216 4.9 60.7 0.6
CB B:SER217 4.9 48.7 1.0
CA B:SER217 5.0 46.0 1.0

Reference:

Y.Kim, C.Tesar, R.Jedrzejczak, J.Babnigg, J.Mire, J.Sacchettini, A.Joachimiak. New Delhi Metallo-Beta-Lactamase-1, Complexed with Cd and Faropenem To Be Published.
Page generated: Sat Dec 12 10:43:03 2020

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