Atomistry » Chlorine » PDB 1zch-1zoh » 1zn3
Atomistry »
  Chlorine »
    PDB 1zch-1zoh »
      1zn3 »

Chlorine in PDB 1zn3: Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E

Enzymatic activity of Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E

All present enzymatic activity of Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E, PDB code: 1zn3 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) 42.57 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 89.090, 144.720, 83.230, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 25.9

Other elements in 1zn3:

The structure of Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E (pdb code 1zn3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E, PDB code: 1zn3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 1zn3

Go back to Chlorine Binding Sites List in 1zn3
Chlorine binding site 1 out of 5 in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E


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 GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:36.7
occ:1.00
 NH1 A:ARG401 2.3 42.9 1.0
O A:HOH656 2.7 50.2 1.0
CZ A:ARG401 3.6 40.6 1.0
N A:ILE398 3.7 30.5 1.0
O A:HOH574 3.8 37.4 1.0
CA A:PRO397 4.1 32.7 1.0
NH2 A:ARG401 4.1 40.7 1.0
C A:PRO397 4.5 32.4 1.0
CB A:ARG401 4.5 41.8 1.0
CD1 A:PHE357 4.5 33.9 1.0
NE A:ARG401 4.6 41.7 1.0
O A:HOH603 4.6 51.0 1.0
CG A:ARG401 4.6 43.1 1.0
CB A:ILE398 4.6 30.3 1.0
CE1 A:PHE357 4.6 34.0 1.0
CA A:ILE398 4.7 30.8 1.0
CB A:PRO397 4.7 30.8 1.0
O A:ILE398 4.7 32.4 1.0
CD A:ARG401 4.8 43.9 1.0
CG1 A:ILE398 4.8 28.6 1.0

Chlorine binding site 2 out of 5 in 1zn3

Go back to Chlorine Binding Sites List in 1zn3
Chlorine binding site 2 out of 5 in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E


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 GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:54.1
occ:1.00
 NH2 A:ARG167 2.8 79.9 1.0
CZ A:ARG167 3.5 79.6 1.0
CA A:GLY126 3.6 41.6 1.0
NE2 A:HIS124 3.7 46.2 1.0
NH1 A:ARG167 3.7 78.8 1.0
O A:HOH613 3.8 33.1 1.0
N A:ASP127 3.9 40.1 1.0
C A:GLY126 4.3 40.7 1.0
CD2 A:LEU166 4.4 38.3 1.0
NE A:ARG167 4.5 78.7 1.0
CD2 A:HIS124 4.5 45.9 1.0
CD1 A:LEU166 4.6 37.5 1.0
CE1 A:HIS124 4.6 45.6 1.0
N A:GLY126 4.7 41.7 1.0
OD2 A:ASP127 4.7 44.4 1.0
CG A:ASP127 4.9 42.9 1.0

Chlorine binding site 3 out of 5 in 1zn3

Go back to Chlorine Binding Sites List in 1zn3
Chlorine binding site 3 out of 5 in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E


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 GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:50.1
occ:1.00
 O A:HOH689 2.8 41.3 1.0
NH2 A:ARG384 3.4 44.3 1.0
CZ A:ARG384 4.3 44.5 1.0
NH1 A:ARG384 4.3 42.4 1.0
ND2 A:ASN378 4.4 54.0 1.0

Chlorine binding site 4 out of 5 in 1zn3

Go back to Chlorine Binding Sites List in 1zn3
Chlorine binding site 4 out of 5 in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E


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 GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl504

b:40.9
occ:1.00
 O A:HOH568 3.0 30.0 1.0
NE2 A:GLN203 3.2 25.4 1.0
NH1 A:ARG347 3.3 39.9 1.0
ND1 A:HIS211 3.4 31.3 1.0
CB A:ALA335 3.7 27.4 1.0
CD1 A:PHE254 4.0 29.5 1.0
CE1 A:PHE254 4.0 28.5 1.0
CD2 A:LEU207 4.1 23.9 1.0
CD A:GLN203 4.1 25.5 1.0
OE1 A:GLN203 4.2 26.1 1.0
CG A:LEU207 4.2 22.9 1.0
CE1 A:HIS211 4.2 30.9 1.0
CG A:HIS211 4.3 29.1 1.0
CB A:HIS211 4.5 27.8 1.0
CZ A:ARG347 4.5 38.0 1.0
NH2 A:ARG347 4.9 39.5 1.0

Chlorine binding site 5 out of 5 in 1zn3

Go back to Chlorine Binding Sites List in 1zn3
Chlorine binding site 5 out of 5 in the Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of GLU335ALA Mutant of Clostridium Botulinum Neurotoxin Type E within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl505

b:30.6
occ:0.50
 NE2 B:GLN203 3.4 47.2 1.0
ND1 B:HIS211 3.6 42.7 1.0
NH1 B:ARG347 3.8 58.8 1.0
CB B:ALA335 3.8 40.7 1.0
CE1 B:PHE254 4.0 45.3 1.0
CD1 B:PHE254 4.1 46.5 1.0
CG B:HIS211 4.3 40.5 1.0
CE1 B:HIS211 4.4 44.3 1.0
CD2 B:LEU207 4.4 42.0 1.0
CB B:HIS211 4.5 38.4 1.0
CG B:LEU207 4.5 42.1 1.0
CZ B:ARG347 4.6 59.7 1.0
CD B:GLN203 4.7 47.4 1.0
O B:LEU207 4.7 39.3 1.0
NH2 B:ARG347 4.9 60.8 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 04:46:26 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy