Zinc in PDB 2imb: Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By L-Arginine Hydroxamate

All present enzymatic activity of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By L-Arginine Hydroxamate:
3.4.24.69;

The structure of Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By L-Arginine Hydroxamate, PDB code: 2imb 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 / 2.41
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	74.238, 67.928, 98.305, 90.00, 105.10, 90.00
R / Rfree (%)	19.1 / 26

The binding sites of Zinc atom in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By L-Arginine Hydroxamate (pdb code 2imb). 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 Inhibited By L-Arginine Hydroxamate, PDB code: 2imb:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By L-Arginine Hydroxamate


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 Inhibited By L-Arginine Hydroxamate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:27.6 occ:1.00 OE1 A:GLU262 2.0 18.5 1.0 NE2 A:HIS223 2.0 17.5 1.0 O2 A:AHL600 2.2 49.0 1.0 NE2 A:HIS227 2.3 22.4 1.0 OE2 A:GLU262 2.7 24.2 1.0 CD A:GLU262 2.7 21.4 1.0 O1 A:AHL600 2.8 47.7 1.0 CD2 A:HIS223 3.0 18.3 1.0 N2 A:AHL600 3.0 48.0 1.0 CE1 A:HIS223 3.1 17.9 1.0 CD2 A:HIS227 3.1 22.6 1.0 C A:AHL600 3.2 48.6 1.0 CE1 A:HIS227 3.4 24.3 1.0 CG A:HIS223 4.1 18.8 1.0 CG A:GLU262 4.2 21.4 1.0 ND1 A:HIS223 4.2 17.6 1.0 CG A:HIS227 4.3 22.3 1.0 ND1 A:HIS227 4.4 25.5 1.0 O A:HOH619 4.4 19.1 1.0 OE2 A:GLU224 4.5 20.3 1.0 OH A:TYR366 4.6 30.8 1.0 CA A:AHL600 4.6 48.9 1.0 CE2 A:TYR366 4.7 30.0 1.0 CB A:GLU262 4.8 23.2 1.0 CA A:GLU262 4.9 23.8 1.0

Zinc binding site 2 out of 2 in the Clostridium Botulinum Neurotoxin Serotype A Light Chain Inhibited By L-Arginine Hydroxamate


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 Inhibited By L-Arginine Hydroxamate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn500 b:24.8 occ:1.00 O1 B:AHL600 2.0 40.7 1.0 NE2 B:HIS223 2.1 15.0 1.0 OE2 B:GLU262 2.2 23.7 1.0 NE2 B:HIS227 2.3 19.4 1.0 O2 B:AHL600 2.3 38.8 1.0 OE1 B:GLU262 2.6 19.2 1.0 C B:AHL600 2.8 40.8 1.0 CD B:GLU262 2.8 23.4 1.0 N2 B:AHL600 3.0 40.4 1.0 CD2 B:HIS223 3.0 15.9 1.0 CD2 B:HIS227 3.2 21.8 1.0 CE1 B:HIS223 3.2 15.2 1.0 CE1 B:HIS227 3.3 19.1 1.0 CG B:HIS223 4.2 16.6 1.0 CA B:AHL600 4.2 41.2 1.0 ND1 B:HIS223 4.3 17.2 1.0 O B:HOH733 4.3 25.5 1.0 CG B:GLU262 4.3 26.6 1.0 CG B:HIS227 4.4 20.2 1.0 ND1 B:HIS227 4.4 20.1 1.0 OE1 B:GLU224 4.5 24.1 1.0 CE2 B:TYR366 4.6 35.9 1.0 OH B:TYR366 4.6 37.6 1.0 N1 B:AHL600 4.6 40.9 1.0 OE2 B:GLU224 4.7 18.1 1.0 CB B:AHL600 4.9 41.6 1.0 CG2 B:THR265 4.9 24.6 1.0 CD B:GLU224 5.0 19.4 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