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Zinc in PDB 2g7q: Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors

Enzymatic activity of 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;

Protein crystallography data

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

Zinc Binding Sites:

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 2g7q

Go back to Zinc Binding Sites List in 2g7q
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 2g7q

Go back to Zinc Binding Sites List in 2g7q
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

Reference:

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
Page generated: Wed Dec 16 03:28:59 2020

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