Gold in PDB 1a8d: Tetanus Toxin C Fragment

All present enzymatic activity of Tetanus Toxin C Fragment:
3.4.24.68;

The structure of Tetanus Toxin C Fragment, PDB code: 1a8d was solved by M.Knapp, B.Rupp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.50 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	71.180, 79.380, 93.810, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 26.2

The binding sites of Gold atom in the Tetanus Toxin C Fragment (pdb code 1a8d). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the Tetanus Toxin C Fragment, PDB code: 1a8d:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the Tetanus Toxin C Fragment


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Tetanus Toxin C Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Au501 b:60.9 occ:0.75 SG A:CYS214 2.4 24.9 1.0 O A:HOH1158 2.7 34.2 1.0 CE1 A:TYR111 3.3 26.1 1.0 CD1 A:TYR111 3.6 24.9 1.0 CB A:CYS214 3.7 24.9 1.0 CB A:ASN216 3.7 26.7 1.0 NE2 A:GLN219 3.8 31.9 1.0 CZ A:TYR111 3.8 23.9 1.0 OD1 A:ASN109 3.9 28.6 1.0 CB A:GLN219 3.9 27.8 1.0 N A:ASN216 4.0 25.6 1.0 CG A:GLN219 4.0 28.1 1.0 CG A:TYR111 4.2 22.8 1.0 CA A:CYS214 4.2 24.7 1.0 N A:ASN215 4.3 24.8 1.0 CD A:GLN219 4.3 33.6 1.0 OH A:TYR111 4.3 31.9 1.0 CA A:ASN216 4.4 26.0 1.0 CE2 A:TYR111 4.4 22.5 1.0 C A:CYS214 4.5 27.2 1.0 O A:HOH1008 4.5 22.5 1.0 CD2 A:TYR111 4.6 23.2 1.0 O A:ASN216 4.6 27.9 1.0 CG A:ASN216 4.8 23.9 1.0 ND2 A:ASN216 4.9 28.2 1.0 CG A:ASN109 5.0 26.3 1.0 C A:ASN216 5.0 25.6 1.0

Gold binding site 2 out of 2 in the Tetanus Toxin C Fragment


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Tetanus Toxin C Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:Au502 b:43.5 occ:0.66 SG A:CYS438 2.0 34.2 1.0 OD1 A:ASP439 2.7 36.1 1.0 CB A:CYS438 3.3 29.1 1.0 CD2 A:LEU436 3.4 52.5 1.0 CD A:ARG383 3.5 58.1 1.0 C A:CYS438 3.6 27.3 1.0 CG A:ASP439 3.6 34.6 1.0 CG A:GLN391 3.7 26.5 1.0 N A:ASP439 3.7 24.0 1.0 CG A:LEU436 3.8 49.5 1.0 CB A:LEU436 3.8 45.1 1.0 CA A:CYS438 3.9 30.1 1.0 O A:CYS438 4.0 28.1 1.0 NE A:ARG383 4.0 57.6 1.0 N A:CYS438 4.1 27.9 1.0 CD2 A:LEU431 4.2 47.0 1.0 CA A:ASP439 4.3 24.3 1.0 OD2 A:ASP439 4.3 44.7 1.0 CG A:ARG383 4.4 54.8 1.0 CD A:GLN391 4.4 29.8 1.0 NE2 A:GLN391 4.5 29.6 1.0 CB A:ASP439 4.5 30.9 1.0 CD1 A:LEU404 4.5 21.1 1.0 O A:LEU436 4.8 31.4 1.0 C A:LEU436 4.9 37.9 1.0 CZ A:ARG383 5.0 57.5 1.0 CB A:GLN391 5.0 24.9 1.0

M.Knapp, B.Segelke, B.Rupp. The 1.61 Angstrom Structure of the Tetanus Toxin Ganglioside Binding Region: Solved By Mad and Mir Phase Combination Am.Cryst.Assoc.,Abstr. V. 25 90 1998PAPERS (Annual Meeting).
ISSN: ISSN 0569-4221