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Chlorine in PDB 1zl5: Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain

Enzymatic activity of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain

All present enzymatic activity of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain, PDB code: 1zl5 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) 46.55 / 2.60
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 88.950, 144.573, 83.429, 90.00, 90.00, 90.00
R / Rfree (%) 20.9 / 27.1

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain (pdb code 1zl5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain, PDB code: 1zl5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in 1zl5

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Chlorine binding site 1 out of 8 in the Crystal Structure of GLU335GLN 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 GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl601

b:36.0
occ:1.00
 NH2 A:ARG384 3.0 45.0 1.0
ND2 A:ASN378 4.0 44.5 1.0
CZ A:ARG384 4.2 43.4 1.0
NH1 A:ARG384 4.7 41.2 1.0

Chlorine binding site 2 out of 8 in 1zl5

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Chlorine binding site 2 out of 8 in the Crystal Structure of GLU335GLN 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 GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:63.4
occ:1.00
 O A:ASP155 2.6 28.9 1.0
O A:GLU158 2.7 25.6 1.0
N A:GLU153 3.0 31.1 1.0
CG A:GLU153 3.1 33.2 1.0
CB A:GLU158 3.3 25.9 1.0
C A:GLU158 3.4 24.9 1.0
CB A:ALA152 3.5 28.9 1.0
CA A:GLU158 3.6 24.6 1.0
CA A:ALA152 3.6 30.0 1.0
N A:GLU158 3.6 23.9 1.0
C A:ASP155 3.7 28.7 1.0
C A:ALA152 3.8 30.8 1.0
CG2 A:THR184 3.9 22.3 1.0
CA A:GLU153 3.9 30.8 1.0
O A:GLU153 4.0 29.8 1.0
CB A:GLU153 4.0 29.8 1.0
CB A:SER186 4.1 19.8 1.0
CD A:GLU153 4.1 35.8 1.0
CA A:LEU156 4.2 23.7 1.0
C A:LEU156 4.2 23.7 1.0
C A:GLU153 4.2 31.0 1.0
N A:LEU156 4.4 25.4 1.0
O A:LEU156 4.4 23.0 1.0
N A:THR159 4.6 24.4 1.0
CG A:GLU158 4.6 27.0 1.0
N A:PHE157 4.6 25.1 1.0
C A:PHE157 4.7 25.4 1.0
OE2 A:GLU153 4.7 38.6 1.0
OG A:SER186 4.7 17.5 1.0
N A:ASP155 4.8 31.0 1.0
CA A:ASP155 4.8 28.6 1.0
OE1 A:GLU153 4.8 35.7 1.0
N A:ALA152 4.9 29.5 1.0
O A:ALA152 5.0 30.5 1.0

Chlorine binding site 3 out of 8 in 1zl5

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Chlorine binding site 3 out of 8 in the Crystal Structure of GLU335GLN 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 GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl604

b:31.5
occ:1.00
 NH2 A:ARG347 3.2 21.0 1.0
OE1 A:GLN335 3.2 27.0 1.0
NH1 A:ARG347 3.3 21.1 1.0
CZ A:ARG347 3.7 21.8 1.0
NE2 A:GLN203 3.8 16.8 1.0
CE1 A:TYR350 4.0 31.7 1.0
CD A:GLN335 4.1 24.6 1.0
O A:HOH713 4.1 24.1 1.0
CZ A:PHE191 4.1 16.5 1.0
NE2 A:GLN335 4.1 24.5 1.0
CD1 A:TYR350 4.3 29.8 1.0
CG A:HIS211 4.3 22.4 1.0
CE2 A:PHE191 4.4 14.5 1.0
CG2 A:THR208 4.5 16.8 1.0
CD2 A:HIS211 4.5 23.0 1.0
CB A:HIS211 4.5 19.7 1.0
ND1 A:HIS211 4.7 23.3 1.0
OG1 A:THR208 4.7 17.7 1.0
CA A:THR208 4.8 15.9 1.0
CD A:GLN203 4.9 17.0 1.0
CB A:THR208 4.9 16.3 1.0
NE2 A:HIS211 4.9 22.9 1.0
CE1 A:HIS211 5.0 22.4 1.0
NE A:ARG347 5.0 18.6 1.0

Chlorine binding site 4 out of 8 in 1zl5

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Chlorine binding site 4 out of 8 in the Crystal Structure of GLU335GLN 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 GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl605

b:19.9
occ:1.00
 NH1 A:ARG401 3.4 31.8 1.0
CD A:ARG401 3.5 38.8 1.0
N A:ILE398 3.7 29.1 1.0
CA A:PRO397 4.1 29.7 1.0
CZ A:ARG401 4.4 33.5 1.0
C A:PRO397 4.4 29.3 1.0
NE A:ARG401 4.4 35.1 1.0
CB A:ILE398 4.6 28.7 1.0
CG1 A:ILE398 4.6 29.1 1.0
CB A:ARG401 4.6 42.0 1.0
CG A:ARG401 4.7 40.7 1.0
CA A:ILE398 4.7 29.6 1.0
CD1 A:PHE357 4.7 22.6 1.0
CB A:PRO397 4.7 27.7 1.0
CE1 A:PHE357 4.8 20.9 1.0
O A:ILE398 4.9 31.1 1.0

Chlorine binding site 5 out of 8 in 1zl5

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Chlorine binding site 5 out of 8 in the Crystal Structure of GLU335GLN 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 5 of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl607

b:34.8
occ:1.00
 CA A:GLY126 3.6 37.1 1.0
O A:HOH710 3.6 26.2 1.0
N A:ASP127 3.6 36.4 1.0
NE2 A:HIS124 4.0 50.5 1.0
C A:GLY126 4.1 37.1 1.0
CD2 A:LEU166 4.3 32.0 1.0
OD2 A:ASP127 4.3 42.6 1.0
CB A:ASP127 4.7 37.8 1.0
CG A:ASP127 4.7 39.4 1.0
CA A:ASP127 4.8 36.0 1.0
N A:GLY126 4.8 36.0 1.0
CD2 A:HIS124 4.8 48.6 1.0
CD1 A:LEU166 4.9 31.6 1.0

Chlorine binding site 6 out of 8 in 1zl5

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Chlorine binding site 6 out of 8 in the Crystal Structure of GLU335GLN 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 6 of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl609

b:38.8
occ:1.00
 N A:SER264 4.0 39.4 1.0
OG A:SER264 4.1 45.1 1.0
CB A:THR263 4.2 37.2 1.0
CA A:THR263 4.2 38.0 1.0
C A:THR263 4.7 39.2 1.0
CG2 A:THR263 4.7 37.2 1.0
CB A:SER264 4.7 41.6 1.0

Chlorine binding site 7 out of 8 in 1zl5

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Chlorine binding site 7 out of 8 in the Crystal Structure of GLU335GLN 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 7 of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl606

b:28.9
occ:1.00
 NH2 B:ARG167 3.2 69.0 1.0
N B:ASP127 3.6 33.6 1.0
CA B:GLY126 3.6 33.0 1.0
NE2 B:HIS124 3.9 40.2 1.0
CZ B:ARG167 3.9 68.3 1.0
NH1 B:ARG167 4.0 68.7 1.0
CD1 B:LEU166 4.0 38.9 1.0
C B:GLY126 4.1 33.2 1.0
CD2 B:LEU166 4.4 39.6 1.0
CE1 B:HIS124 4.7 40.6 1.0
CA B:ASP127 4.7 35.0 1.0
CB B:ASP127 4.7 35.8 1.0
N B:GLY126 4.8 32.4 1.0
OD2 B:ASP127 4.8 37.6 1.0
CG B:LEU166 4.8 40.5 1.0
CD2 B:HIS124 4.9 40.2 1.0

Chlorine binding site 8 out of 8 in 1zl5

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Chlorine binding site 8 out of 8 in the Crystal Structure of GLU335GLN 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 8 of Crystal Structure of GLU335GLN Mutant of Clostridium Botulinum Neurotoxin E Catalytic Domain within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl608

b:35.6
occ:1.00
 N B:ALA312 3.5 23.0 1.0
CB B:ASP311 3.8 24.7 1.0
CB B:ALA312 3.8 21.7 1.0
CA B:ALA312 4.3 22.9 1.0
CA B:ASP311 4.4 24.4 1.0
C B:ASP311 4.4 24.2 1.0
O A:HOH654 4.6 30.2 1.0
CG B:ASP311 4.7 29.1 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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