Chlorine in PDB 6wgq: The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T

Enzymatic activity of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T

All present enzymatic activity of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T:
3.5.2.6;

Protein crystallography data

The structure of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T, PDB code: 6wgq was solved by K.Tan, R.Wu, M.Endres, A.Joachimiak, Center For Structural Genomics Ofinfectious Diseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.38 / 1.80
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 46.419, 73.767, 109.512, 90.00, 92.40, 90.00
R / Rfree (%) 15.3 / 19.2

Other elements in 6wgq:

The structure of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T also contains other interesting chemical elements:

Nickel (Ni) 5 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T (pdb code 6wgq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T, PDB code: 6wgq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 6wgq

Go back to Chlorine Binding Sites List in 6wgq
Chlorine binding site 1 out of 4 in the The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl418

b:24.8
occ:1.00
 O A:HOH717 3.1 24.7 1.0
N A:LEU101 3.2 14.9 1.0
CG2 A:ILE94 3.7 18.0 1.0
CG A:LEU101 3.8 17.8 1.0
CB A:LEU101 3.8 14.7 1.0
CA A:LYS100 4.0 21.6 0.5
CA A:LYS100 4.0 21.7 0.5
C A:LYS100 4.1 16.3 1.0
CA A:LEU101 4.1 16.6 1.0
CD1 A:ILE94 4.1 16.4 1.0
CG1 A:ILE94 4.2 15.9 1.0
CD1 A:LEU101 4.3 15.6 1.0
O A:HOH644 4.5 22.0 1.0
CB A:LYS100 4.6 28.4 0.5
CB A:LYS100 4.6 28.5 0.5
CB A:ILE94 4.6 16.0 1.0
CG A:LYS100 4.6 34.6 0.5
CG A:LYS100 4.9 34.4 0.5
O A:HOH794 4.9 28.9 1.0
N A:SER102 5.0 19.1 1.0

Chlorine binding site 2 out of 4 in 6wgq

Go back to Chlorine Binding Sites List in 6wgq
Chlorine binding site 2 out of 4 in the The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl419

b:28.3
occ:1.00
 O A:HOH724 2.9 22.3 1.0
O A:HOH716 3.0 27.2 1.0
N A:ASN305 3.2 13.4 1.0
N A:ASN362 3.7 14.6 1.0
CA A:ASP304 3.7 15.1 1.0
ND2 A:ASN362 3.8 16.0 1.0
CD A:PRO363 3.8 17.1 1.0
CG A:ASN305 3.9 16.9 1.0
CB A:ASN362 3.9 14.7 1.0
C A:ASP304 3.9 17.6 1.0
ND2 A:ASN305 3.9 18.1 1.0
CB A:ASN305 3.9 14.3 1.0
O A:SER303 4.1 14.3 1.0
CG A:ASN362 4.1 18.7 1.0
CA A:ASN305 4.2 16.5 1.0
OD1 A:ASP304 4.2 22.2 1.0
CG A:ASP304 4.3 23.5 1.0
OD1 A:ASN305 4.3 17.8 1.0
CA A:ASN362 4.4 14.3 1.0
CA A:PRO361 4.5 20.6 1.0
C A:PRO361 4.6 17.7 1.0
CB A:ASP304 4.6 17.0 1.0
CB A:PRO361 4.6 22.4 1.0
N A:ASP304 4.7 13.5 1.0
CG A:PRO363 4.7 20.3 1.0
OD2 A:ASP304 4.7 21.4 1.0
C A:SER303 4.8 12.7 1.0
O A:HOH722 4.9 34.0 1.0
N A:PRO363 4.9 16.2 1.0

Chlorine binding site 3 out of 4 in 6wgq

Go back to Chlorine Binding Sites List in 6wgq
Chlorine binding site 3 out of 4 in the The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl408

b:30.9
occ:1.00
 O B:HOH666 2.7 28.8 1.0
N B:ASN305 3.1 19.6 1.0
O B:HOH552 3.2 33.7 1.0
CA B:ASP304 3.6 17.4 1.0
N B:ASN362 3.7 22.8 1.0
ND2 B:ASN362 3.8 24.8 1.0
C B:ASP304 3.8 20.3 1.0
CB B:ASN362 3.9 24.5 1.0
CB B:ASN305 3.9 17.6 1.0
CD B:PRO363 3.9 23.1 1.0
CG B:ASN305 3.9 19.2 1.0
CA B:ASN305 4.1 19.5 1.0
ND2 B:ASN305 4.1 25.1 1.0
O B:SER303 4.1 19.4 1.0
OD1 B:ASP304 4.1 22.6 1.0
CG B:ASN362 4.1 22.6 1.0
CG B:ASP304 4.2 25.1 1.0
OD1 B:ASN305 4.3 18.3 1.0
CA B:ASN362 4.4 20.4 1.0
CB B:ASP304 4.4 17.9 1.0
CA B:PRO361 4.5 20.3 1.0
OD2 B:ASP304 4.5 26.1 1.0
C B:PRO361 4.6 22.0 1.0
N B:ASP304 4.6 17.8 1.0
CG B:PRO363 4.8 22.2 1.0
CB B:PRO361 4.8 25.0 1.0
C B:SER303 4.8 14.7 1.0
N B:PRO363 5.0 22.3 1.0

Chlorine binding site 4 out of 4 in 6wgq

Go back to Chlorine Binding Sites List in 6wgq
Chlorine binding site 4 out of 4 in the The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl409

b:24.4
occ:1.00
 O B:HOH698 3.1 26.9 1.0
N B:LEU101 3.2 18.4 1.0
CG2 B:ILE94 3.7 21.3 1.0
CG B:LEU101 3.9 17.6 1.0
CA B:LYS100 3.9 24.4 1.0
CB B:LEU101 4.0 22.0 1.0
C B:LYS100 4.1 22.8 1.0
CD1 B:ILE94 4.1 19.0 1.0
CA B:LEU101 4.2 20.9 1.0
CD1 B:LEU101 4.3 19.2 1.0
CG1 B:ILE94 4.4 22.3 1.0
CB B:LYS100 4.4 28.8 1.0
O B:HOH622 4.6 22.9 1.0
CB B:ILE94 4.7 17.5 1.0
CG B:LYS100 4.8 33.7 1.0
O B:HOH740 4.9 30.9 1.0

Reference:

K.Tan, R.Wu, M.Endres, A.Joachimiak. The Crystal Structure of A Beta-Lactamase From Shigella Flexneri 2A Str. 2457T To Be Published.
Page generated: Sat Dec 12 14:29:50 2020

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