Zinc in PDB 2g7p: Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors

All present enzymatic activity of Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors:
3.4.24.69;

The structure of Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors, PDB code: 2g7p was solved by Z.Fu, M.R.Baldwin, G.E.Boldt, K.D.Janda, J.T.Barbieri, J.-J.P.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.19 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.210, 110.260, 167.140, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 27.5

The binding sites of Zinc atom in the Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors (pdb code 2g7p). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors, PDB code: 2g7p:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors


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 Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn452 b:25.6 occ:1.00 NE2 A:HIS222 2.1 14.6 1.0 NE2 A:HIS226 2.1 16.6 1.0 OE2 A:GLU261 2.3 30.0 1.0 OE1 A:GLU261 2.6 32.1 1.0 O A:HOH687 2.6 33.5 1.0 CD A:GLU261 2.8 31.1 1.0 CD2 A:HIS226 3.0 14.4 1.0 CE1 A:HIS222 3.0 17.0 1.0 CD2 A:HIS222 3.1 15.8 1.0 CE1 A:HIS226 3.2 18.2 1.0 OE2 A:GLU223 4.1 22.6 1.0 ND1 A:HIS222 4.2 17.2 1.0 CG A:HIS226 4.2 16.0 1.0 CG A:HIS222 4.2 15.0 1.0 ND1 A:HIS226 4.3 18.0 1.0 CG A:GLU261 4.3 29.2 1.0 O A:HOH594 4.4 28.4 1.0 CG2 A:THR264 4.8 20.5 1.0 CA A:GLU261 4.9 22.4 1.0 CB A:GLU261 4.9 25.0 1.0 CB A:THR264 5.0 20.8 1.0

Zinc binding site 2 out of 2 in the Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn451 b:31.5 occ:1.00 NE2 B:HIS222 2.2 25.8 1.0 NE2 B:HIS226 2.2 30.6 1.0 OE1 B:GLU261 2.3 34.7 1.0 O B:HOH673 2.4 49.1 1.0 OE2 B:GLU261 2.6 35.4 1.0 CD B:GLU261 2.8 33.4 1.0 CD2 B:HIS226 3.0 30.3 1.0 CD2 B:HIS222 3.1 25.7 1.0 CE1 B:HIS222 3.3 26.7 1.0 CE1 B:HIS226 3.4 30.6 1.0 CG B:HIS226 4.2 30.2 1.0 CG B:GLU261 4.3 31.5 1.0 CG B:HIS222 4.3 24.7 1.0 ND1 B:HIS222 4.3 25.4 1.0 ND1 B:HIS226 4.4 29.6 1.0 OE2 B:GLU223 4.4 35.3 1.0 CG2 B:THR264 4.8 22.9 1.0 O B:HOH618 4.8 34.4 1.0 CA B:GLU261 4.8 23.7 1.0 CB B:GLU261 4.9 26.3 1.0 CB B:THR264 4.9 22.5 1.0

Z.Fu, S.Chen, M.R.Baldwin, G.E.Boldt, A.Crawford, K.D.Janda, J.T.Barbieri, J.J.Kim. Light Chain of Botulinum Neurotoxin Serotype A: Structural Resolution of A Catalytic Intermediate. Biochemistry V. 45 8903 2006.
ISSN: ISSN 0006-2960
PubMed: 16846233
DOI: 10.1021/BI060786Z