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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

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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 Dec 12 08:57:14 2020

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