Zinc in PDB 2imc: Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424

All present enzymatic activity of Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424:
3.4.24.69;

The structure of Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424, PDB code: 2imc 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)	50.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.550, 67.670, 98.370, 90.00, 105.09, 90.00
R / Rfree (%)	19.6 / 23

The binding sites of Zinc atom in the Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424 (pdb code 2imc). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424, PDB code: 2imc:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn600 b:25.9 occ:1.00 NE2 A:HIS223 2.0 20.1 1.0 NE2 A:HIS227 2.1 21.4 1.0 OE1 A:GLU262 2.2 28.5 1.0 OE2 A:GLU262 2.2 25.9 1.0 CD A:GLU262 2.5 25.2 1.0 CD2 A:HIS223 2.9 20.6 1.0 CE1 A:HIS223 3.0 20.1 1.0 CD2 A:HIS227 3.1 20.9 1.0 CE1 A:HIS227 3.1 21.5 1.0 CG A:GLU262 4.0 25.2 1.0 CG A:HIS223 4.1 18.8 1.0 ND1 A:HIS223 4.1 19.7 1.0 OH A:TYR366 4.2 34.7 1.0 ND1 A:HIS227 4.2 22.2 1.0 CG A:HIS227 4.3 20.3 1.0 OE2 A:GLU224 4.3 24.7 1.0 O A:HOH807 4.4 29.4 1.0 CE1 A:TYR366 4.5 35.1 1.0 CZ A:TYR366 4.8 35.2 1.0 CB A:GLU262 4.8 24.9 1.0 CG2 A:THR265 4.9 21.1 1.0 CA A:GLU262 4.9 24.9 1.0 OE1 A:GLU224 4.9 24.8 1.0 CD A:GLU224 5.0 22.1 1.0

Zinc binding site 2 out of 2 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Clostridium Botulinum Neurotoxin Serotype A Light Chain, Residues 1- 424 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn600 b:26.5 occ:1.00 OE1 B:GLU262 1.9 27.8 1.0 NE2 B:HIS223 2.0 22.1 1.0 NE2 B:HIS227 2.2 22.5 1.0 OE2 B:GLU262 2.6 29.9 1.0 CD B:GLU262 2.6 28.8 1.0 CD2 B:HIS223 2.9 21.6 1.0 CD2 B:HIS227 3.1 21.8 1.0 CE1 B:HIS223 3.1 22.6 1.0 CE1 B:HIS227 3.2 23.1 1.0 CG B:GLU262 4.1 28.8 1.0 CG B:HIS223 4.1 21.6 1.0 ND1 B:HIS223 4.1 22.1 1.0 CG B:HIS227 4.2 22.2 1.0 O B:HOH815 4.3 33.8 1.0 ND1 B:HIS227 4.3 22.6 1.0 OE2 B:GLU224 4.4 28.5 1.0 OH B:TYR366 4.4 38.8 1.0 CE2 B:TYR366 4.5 38.8 1.0 OE1 B:GLU224 4.7 28.7 1.0 CB B:GLU262 4.7 28.6 1.0 CG2 B:THR265 4.8 24.6 1.0 CD B:GLU224 4.9 25.8 1.0 CA B:GLU262 4.9 28.5 1.0 CZ B:TYR366 4.9 38.8 1.0

N.R.Silvaggi, G.E.Boldt, M.S.Hixon, J.P.Kennedy, S.Tzipori, K.D.Janda, K.N.Allen. Structures of Clostridium Botulinum Neurotoxin Serotype A Light Chain Complexed with Small-Molecule Inhibitors Highlight Active-Site Flexibility. Chem.Biol. V. 14 533 2007.
ISSN: ISSN 1074-5521
PubMed: 17524984
DOI: 10.1016/J.CHEMBIOL.2007.03.014