Zinc in PDB 2g7q: 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: 2g7q 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)	21.55 / 2.41
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.320, 109.940, 166.640, 90.00, 90.00, 90.00
R / Rfree (%)	22.4 / 26.1

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 2g7q). 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: 2g7q:
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:22.5 occ:1.00 NE2 A:HIS226 2.2 19.0 1.0 NE2 A:HIS222 2.2 13.8 1.0 OE2 A:GLU261 2.2 25.8 1.0 O2 A:AHL500 2.4 42.2 1.0 O1 A:AHL500 2.5 42.3 1.0 OE1 A:GLU261 2.5 27.2 1.0 CD A:GLU261 2.7 27.2 1.0 N2 A:AHL500 3.1 42.2 1.0 CD2 A:HIS226 3.1 17.9 1.0 CD2 A:HIS222 3.1 14.8 1.0 C A:AHL500 3.1 41.5 1.0 CE1 A:HIS222 3.3 17.9 1.0 CE1 A:HIS226 3.3 20.2 1.0 OE2 A:GLU223 4.2 25.8 1.0 CG A:GLU261 4.2 24.8 1.0 CG A:HIS226 4.3 18.9 1.0 CG A:HIS222 4.3 15.3 1.0 ND1 A:HIS222 4.3 18.1 1.0 O A:HOH589 4.3 40.1 1.0 ND1 A:HIS226 4.3 18.9 1.0 CA A:AHL500 4.6 41.8 1.0 OE1 A:GLU223 4.8 25.3 1.0 CD A:GLU223 4.9 22.3 1.0 CB A:GLU261 4.9 22.2 1.0 N1 A:AHL500 4.9 41.9 1.0 CA A:GLU261 5.0 19.2 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:33.6 occ:1.00 NE2 B:HIS222 2.2 20.2 1.0 OE2 B:GLU261 2.2 39.1 1.0 NE2 B:HIS226 2.3 35.6 1.0 OE1 B:GLU261 2.5 36.9 1.0 CD B:GLU261 2.7 38.0 1.0 CD2 B:HIS226 3.0 33.4 1.0 CD2 B:HIS222 3.1 21.3 1.0 CE1 B:HIS222 3.2 22.2 1.0 CE1 B:HIS226 3.5 36.0 1.0 CG B:GLU261 4.2 36.2 1.0 OE2 B:GLU223 4.2 38.1 1.0 CG B:HIS226 4.2 34.0 1.0 ND1 B:HIS222 4.3 23.9 1.0 CG B:HIS222 4.3 21.1 1.0 ND1 B:HIS226 4.4 34.8 1.0 O B:HOH651 4.7 32.0 1.0 OE1 B:GLU223 4.8 32.4 1.0 CD B:GLU223 4.9 35.1 1.0 CG2 B:THR264 4.9 23.5 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