Zinc in PDB 3boo: Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound

All present enzymatic activity of Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound:
3.4.24.69;

The structure of Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound, PDB code: 3boo was solved by N.R.Silvaggi, K.N.Allen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.99 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	50.046, 66.571, 65.380, 90.00, 98.63, 90.00
R / Rfree (%)	14.8 / 17.8

The binding sites of Zinc atom in the Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound (pdb code 3boo). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound, PDB code: 3boo:

Zinc binding site 1 out of 1 in the Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of the C. Botulinum Neurotoxin Serotype A with An Inhibitory Peptide Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:15.5 occ:1.00 OE1 A:GLU262 1.9 14.0 1.0 NE2 A:HIS223 2.0 12.6 1.0 NE2 A:HIS227 2.1 13.5 1.0 OD B:CSO1 2.3 18.8 0.8 SG B:CSO1 2.3 15.7 0.8 CD A:GLU262 2.7 14.8 1.0 OE2 A:GLU262 2.8 20.2 1.0 CD2 A:HIS223 3.0 12.3 1.0 CE1 A:HIS227 3.0 13.7 1.0 CE1 A:HIS223 3.1 12.0 1.0 CD2 A:HIS227 3.1 11.9 1.0 CB B:CSO1 3.3 15.9 0.8 CG A:HIS223 4.1 11.8 1.0 ND1 A:HIS223 4.1 11.8 1.0 CG A:GLU262 4.1 14.1 1.0 ND1 A:HIS227 4.2 13.4 1.0 CG A:HIS227 4.2 11.6 1.0 OH A:TYR366 4.3 14.8 1.0 OE2 A:GLU224 4.4 19.6 1.0 CE1 A:TYR366 4.4 14.0 1.0 O A:HOH577 4.6 21.4 1.0 CG2 A:THR265 4.7 12.9 1.0 O A:HOH1049 4.7 36.2 1.0 CZ A:TYR366 4.7 15.0 1.0 CA B:CSO1 4.7 14.1 0.8 CB A:GLU262 4.8 14.8 1.0 CA A:GLU262 4.9 12.4 1.0

N.R.Silvaggi, D.Wilson, S.Tzipori, K.N.Allen. Catalytic Features of the Botulinum Neurotoxin A Light Chain Revealed By High Resolution Structure of An Inhibitory Peptide Complex. Biochemistry V. 47 5736 2008.
ISSN: ISSN 0006-2960
PubMed: 18457419
DOI: 10.1021/BI8001067