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Sodium in PDB 4kuf: Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder

Enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder, PDB code: 4kuf was solved by E.A.Stura, L.Vera, D.Ptchelkine, H.Bakirci, S.Garcia, V.Dive, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.94 / 1.70
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 65.460, 65.460, 201.620, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 23.1

Other elements in 4kuf:

The structure of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Sodium Binding Sites:

The binding sites of Sodium atom in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder (pdb code 4kuf). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder, PDB code: 4kuf:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in 4kuf

Go back to Sodium Binding Sites List in 4kuf
Sodium binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na517

b:37.8
occ:1.00
O A:HOH696 2.3 28.9 1.0
OD1 A:ASP352 2.9 31.8 1.0
O A:ARG363 3.0 13.3 1.0
CG2 A:VAL355 3.4 18.3 1.0
ND2 A:ASN362 3.6 12.1 1.0
CZ A:PHE266 3.7 19.4 1.0
CB A:VAL355 3.8 13.8 1.0
CG A:ASP352 3.8 29.8 1.0
CA A:ASP352 3.9 17.6 1.0
O A:HOH697 4.0 29.9 1.0
CG1 A:VAL355 4.0 15.1 1.0
CB A:ASN362 4.1 12.5 1.0
C A:ARG363 4.2 14.9 1.0
CB A:ASP352 4.2 14.4 1.0
CE1 A:PHE266 4.3 14.6 1.0
CG A:ASN362 4.3 13.8 1.0
CA A:LYS364 4.5 13.6 1.0
O A:HOH703 4.5 31.4 1.0
CE2 A:PHE266 4.5 16.4 1.0
O A:ASP352 4.6 16.0 1.0
O A:HOH704 4.6 25.8 1.0
N A:ASP352 4.7 14.9 1.0
C A:ASP352 4.8 17.0 1.0
C A:ASN362 4.8 13.4 1.0
N A:LYS364 4.8 16.0 1.0
O A:ASN362 4.8 17.7 1.0
OD2 A:ASP352 4.8 23.1 1.0
O A:GLU351 4.9 13.4 1.0
CD A:LYS364 4.9 29.6 1.0
C A:LYS364 4.9 15.7 1.0

Sodium binding site 2 out of 2 in 4kuf

Go back to Sodium Binding Sites List in 4kuf
Sodium binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Bont/A C134 Mutant with Mtsea Modified Cys-165 Causing Stretch Disorder within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Na518

b:40.2
occ:1.00
O A:HOH883 2.4 33.0 1.0
O A:HOH817 2.6 36.1 1.0
O A:PHE413 2.9 29.1 1.0
O A:ASN410 3.1 24.2 1.0
O A:HOH810 3.4 38.4 1.0
O A:HOH932 3.5 35.3 1.0
CB A:ASN410 3.8 19.9 1.0
C A:ASN410 4.0 20.9 1.0
C A:PHE413 4.0 25.2 1.0
CA A:ASN410 4.1 18.5 1.0
ND2 A:ASN410 4.6 26.5 1.0
O A:THR406 4.7 21.6 1.0
CG A:ASN410 4.8 23.6 1.0
CA A:THR414 4.8 15.5 1.0
N A:THR414 4.8 17.3 1.0
CA A:PHE413 4.9 17.9 1.0
CB A:PHE413 4.9 16.2 1.0

Reference:

K.Guitot, L.Vera, L.Le Roux, S.Bregant, D.Ptchelkine, F.Beau, E.A.Stura, V.Dive. Covalent Modification of the Active Site Cysteine Stresses Clostridium Botulinum Neurotoxin A To Be Published.
Page generated: Mon Oct 7 16:36:22 2024

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