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Magnesium in PDB 4kbb: Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A

Enzymatic activity of Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A

All present enzymatic activity of Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A:
3.4.24.69;

Protein crystallography data

The structure of Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A, PDB code: 4kbb was solved by R.P.A.Berntsson, L.Peng, M.Dong, P.Stenmark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.82 / 2.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 47.163, 158.237, 75.244, 90.00, 108.44, 90.00
R / Rfree (%) 15.6 / 18.9

Other elements in 4kbb:

The structure of Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A (pdb code 4kbb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A, PDB code: 4kbb:

Magnesium binding site 1 out of 1 in 4kbb

Go back to Magnesium Binding Sites List in 4kbb
Magnesium binding site 1 out of 1 in the Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Botulinum Neurotoxin B Binding Domain in Complex with Both Synaptotagmin II and GD1A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg1301

b:23.0
occ:1.00
O B:HOH1474 2.1 34.6 1.0
O B:HOH1514 2.1 16.7 1.0
O B:HOH1471 2.1 16.1 1.0
O B:HOH1466 2.1 16.0 1.0
OE2 B:GLU1033 2.2 31.9 1.0
CD B:GLU1033 3.2 28.9 1.0
OE1 B:GLU1033 3.6 33.7 1.0
NH1 B:ARG1032 3.9 29.1 1.0
CG B:GLU1033 4.5 23.4 1.0
CZ B:ARG1032 4.9 28.4 1.0

Reference:

R.P.Berntsson, L.Peng, M.Dong, P.Stenmark. Structure of Dual Receptor Binding to Botulinum Neurotoxin B. Nat Commun V. 4 2058 2013.
ISSN: ESSN 2041-1723
PubMed: 23807078
DOI: 10.1038/NCOMMS3058
Page generated: Sat Aug 17 03:32:42 2024

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