Atomistry » Chlorine » PDB 1zco-1zoo » 1zkx
Atomistry »
  Chlorine »
    PDB 1zco-1zoo »
      1zkx »

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

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy