Zinc in PDB 1xtf: Neurotoxin Bont/A E224Q Y366F Mutant

The structure of Neurotoxin Bont/A E224Q Y366F Mutant, PDB code: 1xtf was solved by M.A.Breidenbach, A.T.Brunger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.20
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	57.900, 40.490, 195.890, 90.00, 90.25, 90.00
R / Rfree (%)	22 / 27.3

The binding sites of Zinc atom in the Neurotoxin Bont/A E224Q Y366F Mutant (pdb code 1xtf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Neurotoxin Bont/A E224Q Y366F Mutant, PDB code: 1xtf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Neurotoxin Bont/A E224Q Y366F Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Neurotoxin Bont/A E224Q Y366F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn429 b:30.2 occ:1.00 NE2 A:HIS227 2.1 33.5 1.0 ND1 A:HIS428 2.1 31.4 1.0 NE2 A:HIS223 2.1 26.3 1.0 OE1 A:GLU262 2.4 39.9 1.0 OE2 A:GLU262 2.5 53.1 1.0 CD A:GLU262 2.8 30.0 1.0 CE1 A:HIS428 3.0 55.8 1.0 CD2 A:HIS223 3.0 20.9 1.0 CD2 A:HIS227 3.0 25.2 1.0 CE1 A:HIS227 3.1 22.2 1.0 CE1 A:HIS223 3.1 31.6 1.0 CG A:HIS428 3.2 58.3 1.0 CB A:HIS428 3.6 57.0 1.0 CA A:HIS428 3.9 63.3 1.0 CG A:HIS223 4.2 26.9 1.0 NE2 A:HIS428 4.2 59.8 1.0 ND1 A:HIS223 4.2 28.2 1.0 ND1 A:HIS227 4.2 25.4 1.0 CG A:HIS227 4.2 34.5 1.0 CD2 A:HIS428 4.3 46.4 1.0 CG A:GLU262 4.3 37.6 1.0 CG2 A:THR265 4.3 29.2 1.0 N A:HIS428 4.5 82.8 1.0 CB A:THR265 4.7 32.9 1.0 O A:HOH1109 4.9 48.5 1.0 OE1 A:GLN224 4.9 43.5 1.0 CA A:GLU262 5.0 27.3 1.0

Zinc binding site 2 out of 2 in the Neurotoxin Bont/A E224Q Y366F Mutant


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Neurotoxin Bont/A E224Q Y366F Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn857 b:31.8 occ:1.00 NE2 B:HIS655 2.1 37.6 1.0 NE2 B:HIS651 2.1 18.6 1.0 ND1 B:HIS856 2.1 41.3 1.0 OE1 B:GLU690 2.4 45.6 1.0 OE2 B:GLU690 2.6 47.8 1.0 CD B:GLU690 2.8 31.5 1.0 CE1 B:HIS856 2.9 59.2 1.0 CD2 B:HIS651 3.0 17.9 1.0 CD2 B:HIS655 3.1 30.4 1.0 CE1 B:HIS655 3.1 27.3 1.0 CE1 B:HIS651 3.1 27.0 1.0 CG B:HIS856 3.3 59.6 1.0 CA B:HIS856 3.6 67.0 1.0 CB B:HIS856 3.7 55.5 1.0 NE2 B:HIS856 4.1 65.6 1.0 CG B:HIS651 4.2 29.2 1.0 ND1 B:HIS651 4.2 30.1 1.0 ND1 B:HIS655 4.2 30.1 1.0 CG B:HIS655 4.2 32.9 1.0 CG B:GLU690 4.3 35.8 1.0 CD2 B:HIS856 4.3 59.6 1.0 N B:HIS856 4.3 84.3 1.0 CG2 B:THR693 4.4 40.9 1.0 C B:HIS856 4.7 63.3 1.0 CB B:THR693 4.7 32.3 1.0 O B:HOH963 4.9 37.8 1.0 CD2 B:HIS855 4.9 94.2 1.0 OE1 B:GLN652 4.9 38.3 1.0 CA B:GLU690 5.0 25.2 1.0

M.A.Breidenbach, A.T.Brunger. Substrate Recognition Strategy For Botulinum Neurotoxin Serotype A Nature V. 432 925 2004.
ISSN: ISSN 0028-0836
PubMed: 15592454
DOI: 10.1038/NATURE03123