Zinc in PDB 4zkt: Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin

All present enzymatic activity of Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin:
3.4.24.69;

The structure of Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin, PDB code: 4zkt was solved by S.Eswaramoorthy, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.30 / 3.05
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	192.601, 192.601, 286.538, 90.00, 90.00, 120.00
R / Rfree (%)	24.3 / 32.1

The binding sites of Zinc atom in the Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin (pdb code 4zkt). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin, PDB code: 4zkt:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin


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 the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1301 b:86.3 occ:1.00 OE1 A:GLU251 2.3 43.7 1.0 NE2 A:HIS216 2.7 63.5 1.0 NE2 A:HIS212 2.8 60.9 1.0 CD A:GLU251 2.8 61.8 1.0 OE2 A:GLU251 2.9 62.6 1.0 CD2 A:HIS216 3.1 63.5 1.0 OH A:TYR351 3.2 98.7 1.0 CD2 A:HIS212 3.4 60.6 1.0 OE2 A:GLU213 3.4 76.7 1.0 OE1 A:GLU213 3.7 95.5 1.0 CE1 A:HIS212 3.7 75.0 1.0 CE1 A:TYR351 3.8 0.6 1.0 CZ A:TYR351 3.9 0.5 1.0 CE1 A:HIS216 3.9 69.4 1.0 CD A:GLU213 4.0 81.6 1.0 CG A:GLU251 4.2 73.8 1.0 CG A:HIS216 4.4 70.1 1.0 CG A:HIS212 4.5 73.3 1.0 ND1 A:HIS212 4.7 79.2 1.0 ND1 A:HIS216 4.8 77.3 1.0 CB A:GLU251 4.9 73.9 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn1301 b:83.7 occ:1.00 NE2 C:HIS212 2.4 0.5 1.0 NE2 C:HIS216 2.6 0.7 1.0 OE1 C:GLU251 2.6 65.0 1.0 CD2 C:HIS212 2.9 0.7 1.0 CD2 C:HIS216 2.9 0.2 1.0 OE2 C:GLU213 3.0 0.1 1.0 CD C:GLU251 3.2 78.2 1.0 OE1 C:GLU213 3.4 95.8 1.0 OE2 C:GLU251 3.4 84.7 1.0 CE1 C:HIS212 3.5 0.9 1.0 CD C:GLU213 3.5 0.3 1.0 OH C:TYR351 3.6 0.8 1.0 CE1 C:HIS216 3.8 0.5 1.0 CE1 C:TYR351 3.9 0.7 1.0 CG C:HIS212 4.0 0.9 1.0 CZ C:TYR351 4.2 0.2 1.0 CG C:HIS216 4.2 0.1 1.0 ND1 C:HIS212 4.3 0.2 1.0 CG C:GLU251 4.6 73.2 1.0 ND1 C:HIS216 4.6 0.7 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of the Progenitor M Complex of Clostridium Botulinum Type E Neurotoxin within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn1301 b:99.6 occ:1.00 OE1 E:GLU251 2.7 92.2 1.0 NE2 E:HIS212 2.7 88.9 1.0 NE2 E:HIS216 3.0 78.2 1.0 OE2 E:GLU213 3.0 0.5 1.0 CD2 E:HIS212 3.2 90.9 1.0 CD E:GLU251 3.3 0.4 1.0 CD2 E:HIS216 3.3 76.7 1.0 OH E:TYR351 3.3 0.9 1.0 OE2 E:GLU251 3.4 0.8 1.0 OE1 E:GLU213 3.5 0.4 1.0 CE1 E:HIS212 3.7 96.9 1.0 CD E:GLU213 3.7 0.4 1.0 CE1 E:TYR351 3.8 0.1 1.0 CZ E:TYR351 4.0 1.0 1.0 CE1 E:HIS216 4.2 71.2 1.0 CG E:HIS212 4.3 99.2 1.0 ND1 E:HIS212 4.5 0.8 1.0 CG E:GLU251 4.6 0.6 1.0 CG E:HIS216 4.6 77.8 1.0

S.Eswaramoorthy, J.Sun, H.Li, B.R.Singh, S.Swaminathan. Molecular Assembly of Clostridium Botulinum Progenitor M Complex of Type E. Sci Rep V. 5 17795 2015.
ISSN: ESSN 2045-2322
PubMed: 26639353
DOI: 10.1038/SREP17795