Silicon in PDB 1fv3: The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B

The structure of The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B, PDB code: 1fv3 was solved by C.Fotinou, P.Emsley, I.Black, H.Ando, H.Ishida, M.Kiso, K.A.Sinha, N.F.Fairweather, N.W.Isaacs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	91.311, 53.068, 118.278, 90.00, 89.78, 90.00
R / Rfree (%)	23.7 / 30.6

The binding sites of Silicon atom in the The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B (pdb code 1fv3). This binding sites where shown within 5.0 Angstroms radius around Silicon atom.
In total 4 binding sites of Silicon where determined in the The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B, PDB code: 1fv3:
Jump to Silicon binding site number: 1; 2; 3; 4;

Silicon binding site 1 out of 4 in the The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 1 of The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Si8 b:76.5 occ:0.70 SI1 A:CEQ8 0.0 76.5 0.7 C2 A:CEQ8 1.8 76.6 0.7 C5 A:CEQ8 1.8 74.8 0.7 C3 A:CEQ8 1.8 77.0 0.7 C4 A:CEQ8 1.8 76.8 0.7 C6 A:CEQ8 2.7 72.4 0.7 C6 A:CEQ8 3.3 66.7 0.3 C5 A:CEQ8 3.8 67.7 0.3 O1 A:BGC1 3.9 62.5 1.0 C1 A:BGC1 4.7 57.9 1.0 C4 A:CEQ8 4.7 68.5 0.3 SI1 A:CEQ8 5.0 68.4 0.3

Silicon binding site 2 out of 4 in the The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 2 of The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Si8 b:68.4 occ:0.30 SI1 A:CEQ8 0.0 68.4 0.3 C3 A:CEQ8 1.8 68.3 0.3 C4 A:CEQ8 1.8 68.5 0.3 C5 A:CEQ8 1.8 67.7 0.3 C2 A:CEQ8 1.8 68.4 0.3 C6 A:CEQ8 2.7 66.7 0.3 O1 A:BGC1 3.3 62.5 1.0 C6 A:CEQ8 3.4 72.4 0.7 C5 A:CEQ8 3.9 74.8 0.7 O5 A:BGC1 4.1 57.4 1.0 C1 A:BGC1 4.3 57.9 1.0 C2 A:CEQ8 4.7 76.6 0.7 SI1 A:CEQ8 5.0 76.5 0.7

Silicon binding site 3 out of 4 in the The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 3 of The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Si8 b:75.8 occ:0.70 SI1 B:CEQ8 0.0 75.8 0.7 C5 B:CEQ8 1.8 65.0 0.3 C2 B:CEQ8 1.8 76.3 0.7 C4 B:CEQ8 1.8 76.1 0.7 C3 B:CEQ8 1.8 75.7 0.7 C5 B:CEQ8 1.8 74.4 0.7 C6 B:CEQ8 2.7 71.8 0.7 C6 B:CEQ8 2.9 64.3 0.3 O1 B:BGC1 3.1 61.8 1.0 SI1 B:CEQ8 3.1 65.0 0.3 C3 B:CEQ8 3.4 65.1 0.3 C2 B:CEQ8 3.9 65.5 0.3 C1 B:BGC1 4.3 56.2 1.0 C4 B:CEQ8 4.6 65.1 0.3 O2 B:BGC1 4.7 57.1 1.0 C2 B:BGC1 5.0 56.5 1.0

Silicon binding site 4 out of 4 in the The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B


Mono view


Stereo pair view

A full contact list of Silicon with other atoms in the Si binding site number 4 of The Hc Fragment of Tetanus Toxin Complexed with An Analogue of Its Ganglioside Receptor GT1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Si8 b:65.0 occ:0.30 SI1 B:CEQ8 0.0 65.0 0.3 C5 B:CEQ8 1.6 74.4 0.7 C3 B:CEQ8 1.8 65.1 0.3 C5 B:CEQ8 1.8 65.0 0.3 C4 B:CEQ8 1.8 65.1 0.3 C2 B:CEQ8 1.8 65.5 0.3 C6 B:CEQ8 2.5 71.8 0.7 C6 B:CEQ8 2.8 64.3 0.3 SI1 B:CEQ8 3.1 75.8 0.7 O1 B:BGC1 3.4 61.8 1.0 C3 B:CEQ8 3.5 75.7 0.7 C4 B:CEQ8 4.2 76.1 0.7 C2 B:CEQ8 4.3 76.3 0.7 C1 B:BGC1 4.7 56.2 1.0

C.Fotinou, P.Emsley, I.Black, H.Ando, H.Ishida, M.Kiso, K.A.Sinha, N.F.Fairweather, N.W.Isaacs. The Crystal Structure of Tetanus Toxin Hc Fragment Complexed with A Synthetic GT1B Analogue Suggests Cross-Linking Between Ganglioside Receptors and the Toxin. J.Biol.Chem. V. 276 32274 2001.
ISSN: ISSN 0021-9258
PubMed: 11418600
DOI: 10.1074/JBC.M103285200