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Chlorine in PDB 1zkx: Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain

Enzymatic activity of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain

All present enzymatic activity of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain, PDB code: 1zkx was solved by R.Agarwal, T.Binz, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.50 / 2.52
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 88.904, 144.784, 83.017, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 25.9

Other elements in 1zkx:

The structure of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain (pdb code 1zkx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain, PDB code: 1zkx:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1zkx

Go back to Chlorine Binding Sites List in 1zkx
Chlorine binding site 1 out of 4 in the Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl424

b:66.2
occ:1.00
 O A:HOH510 4.0 37.4 1.0
CE A:LYS61 4.4 52.0 1.0
OG1 A:THR58 4.5 44.1 1.0
NZ A:LYS61 4.6 53.3 1.0
CD A:LYS61 4.8 52.0 1.0

Chlorine binding site 2 out of 4 in 1zkx

Go back to Chlorine Binding Sites List in 1zkx
Chlorine binding site 2 out of 4 in the Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl425

b:36.5
occ:1.00
 NH2 A:ARG167 2.9 79.8 1.0
NE2 A:HIS124 3.4 45.0 1.0
CA A:GLY126 3.6 35.4 1.0
O A:HOH505 3.6 40.1 1.0
CZ A:ARG167 3.7 79.5 1.0
NH1 A:ARG167 3.9 78.7 1.0
N A:ASP127 4.0 35.4 1.0
CD2 A:LEU166 4.2 42.4 1.0
CE1 A:HIS124 4.2 44.9 1.0
C A:GLY126 4.4 35.5 1.0
OD2 A:ASP127 4.4 44.4 1.0
CD2 A:HIS124 4.4 44.5 1.0
NE A:ARG167 4.7 78.5 1.0
N A:GLY126 4.8 35.0 1.0
CD1 A:LEU166 4.8 44.3 1.0

Chlorine binding site 3 out of 4 in 1zkx

Go back to Chlorine Binding Sites List in 1zkx
Chlorine binding site 3 out of 4 in the Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl426

b:31.3
occ:1.00
 NH1 A:ARG401 3.5 28.4 1.0
CD A:ARG401 3.6 34.5 1.0
N A:ILE398 3.7 32.9 1.0
CA A:PRO397 4.2 33.3 1.0
C A:PRO397 4.5 33.6 1.0
CB A:ARG401 4.5 36.3 1.0
O A:ARG401 4.5 38.8 1.0
CZ A:ARG401 4.5 29.0 1.0
NE A:ARG401 4.5 31.2 1.0
CB A:ILE398 4.6 31.9 1.0
O A:ILE398 4.6 31.8 1.0
CA A:ILE398 4.7 32.1 1.0
CG A:ARG401 4.7 34.8 1.0
CB A:PRO397 4.7 31.2 1.0
CE1 A:PHE357 4.8 25.4 1.0
CD1 A:PHE357 4.8 25.1 1.0
CG1 A:ILE398 4.9 31.6 1.0
C A:ILE398 5.0 31.7 1.0

Chlorine binding site 4 out of 4 in 1zkx

Go back to Chlorine Binding Sites List in 1zkx
Chlorine binding site 4 out of 4 in the Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of GLU158ALA/THR159ALA/ASN160ALA- A Triple Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl427

b:43.1
occ:1.00
 O B:HOH874 2.5 44.0 1.0
NH2 B:ARG167 2.6 69.2 1.0
CZ B:ARG167 3.4 68.6 1.0
NH1 B:ARG167 3.5 68.9 1.0
CD1 B:LEU166 3.7 42.6 1.0
NE2 B:HIS124 4.0 36.8 1.0
CA B:GLY126 4.3 28.8 1.0
N B:ASP127 4.4 28.2 1.0
CD2 B:LEU166 4.4 43.2 1.0
CG B:LEU166 4.5 43.0 1.0
NE B:ARG167 4.6 67.0 1.0
CB B:LEU166 4.7 43.0 1.0
C B:GLY126 4.9 28.1 1.0
CD2 B:HIS124 4.9 36.9 1.0
CE1 B:HIS124 5.0 37.4 1.0

Reference:

R.Agarwal, T.Binz, S.Swaminathan. Analysis of Active Site Residues of Botulinum Neurotoxin E By Mutational, Functional, and Structural Studies: GLU335GLN Is An Apoenzyme. Biochemistry V. 44 8291 2005.
ISSN: ISSN 0006-2960
PubMed: 15938619
DOI: 10.1021/BI050253A
Page generated: Sat Jul 20 04:44:04 2024

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