Zinc in PDB 1s0f: Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0

All present enzymatic activity of Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0:
3.4.24.69;

The structure of Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0, PDB code: 1s0f was solved by S.Eswaramoorthy, D.Kumaran, J.Keller, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.600, 122.850, 93.410, 90.00, 112.48, 90.00
R / Rfree (%)	22.7 / 28.8

The structure of Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0 (pdb code 1s0f). 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 Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0, PDB code: 1s0f:

Zinc binding site 1 out of 1 in the Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Botulinum Neurotoxin Type B at pH 7.0 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1291 b:47.4 occ:1.00 NE2 A:HIS233 2.2 34.9 1.0 NE2 A:HIS229 2.4 30.8 1.0 O A:HOH1665 2.7 77.3 1.0 OE2 A:GLU267 2.7 51.6 1.0 CD2 A:HIS233 3.1 31.8 1.0 O A:HOH1674 3.2 40.0 1.0 CE1 A:HIS233 3.3 31.7 1.0 CE1 A:HIS229 3.3 30.3 1.0 OE1 A:GLU267 3.4 49.9 1.0 CD A:GLU267 3.4 48.1 1.0 CD2 A:HIS229 3.4 30.6 1.0 O A:HOH1683 4.2 31.4 1.0 CG A:HIS233 4.3 31.1 1.0 ND1 A:HIS233 4.3 33.0 1.0 ND1 A:HIS229 4.5 28.3 1.0 CG A:HIS229 4.5 27.9 1.0 CG A:GLU267 4.7 42.4 1.0 O A:HOH1628 4.8 36.0 1.0 CG2 A:THR270 4.8 20.2 1.0 OE2 A:GLU230 4.8 33.1 1.0

S.Eswaramoorthy, D.Kumaran, J.Keller, S.Swaminathan. Role of Metals in the Biological Activity of Clostridium Botulinum Neurotoxins Biochemistry V. 43 2209 2004.
ISSN: ISSN 0006-2960
PubMed: 14979717
DOI: 10.1021/BI035844K