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Silver in PDB 2g7n: 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: 2g7n 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) 25.28 / 1.90
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 50.910, 66.710, 64.390, 90.00, 98.48, 90.00
R / Rfree (%) 22.3 / 24.8

Other elements in 2g7n:

The structure of Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Silver Binding Sites:

The binding sites of Silver atom in the Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors (pdb code 2g7n). This binding sites where shown within 5.0 Angstroms radius around Silver atom.
In total 4 binding sites of Silver where determined in the Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors, PDB code: 2g7n:
Jump to Silver binding site number: 1; 2; 3; 4;

Silver binding site 1 out of 4 in 2g7n

Go back to Silver Binding Sites List in 2g7n
Silver binding site 1 out of 4 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 Silver with other atoms in the Ag 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:Ag451

b:37.5
occ:1.00
 SG A:CYS133 2.4 25.4 1.0
OG A:SER145 2.8 32.9 1.0
AG A:AG454 2.9 45.7 1.0
O A:HOH584 3.1 50.8 1.0
CB A:CYS133 3.3 25.4 1.0
CG A:GLU147 3.8 25.6 1.0
CB A:SER145 3.9 32.4 1.0
N A:GLU147 4.2 25.1 1.0
C A:GLU146 4.2 26.6 1.0
C A:SER145 4.3 30.9 1.0
N A:GLU146 4.3 29.6 1.0
CG2 A:VAL128 4.3 32.4 1.0
CG1 A:VAL128 4.4 32.2 1.0
O A:SER145 4.5 31.0 1.0
CA A:GLU147 4.6 23.8 1.0
CA A:GLU146 4.6 28.0 1.0
O A:HOH570 4.6 33.8 1.0
O A:GLU146 4.6 25.7 1.0
CA A:CYS133 4.6 25.2 1.0
CA A:SER145 4.7 32.3 1.0
CB A:GLU147 4.8 24.5 1.0
CD A:GLU147 4.8 26.3 1.0
CB A:VAL128 4.9 32.5 1.0

Silver binding site 2 out of 4 in 2g7n

Go back to Silver Binding Sites List in 2g7n
Silver binding site 2 out of 4 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 Silver with other atoms in the Ag 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
A:Ag452

b:40.0
occ:1.00
 OE1 A:GLU223 2.2 25.4 1.0
SG A:CYS164 2.6 29.8 1.0
AG A:AG453 2.8 35.1 1.0
N A:CYS164 2.8 28.8 1.0
CB A:CYS164 3.1 29.4 1.0
CA A:CYS164 3.2 29.3 1.0
C A:GLU163 3.3 28.4 1.0
CD A:GLU223 3.3 23.9 1.0
CB A:GLU223 3.6 19.6 1.0
O A:GLU223 3.7 17.0 1.0
CA A:GLU163 3.8 28.6 1.0
CG A:GLU223 3.9 22.1 1.0
O A:GLU163 3.9 28.4 1.0
CA A:GLU223 3.9 17.7 1.0
CG2 A:ILE185 3.9 19.4 1.0
C A:GLU223 4.2 17.2 1.0
CG1 A:ILE185 4.3 20.0 1.0
OE2 A:GLU223 4.4 24.8 1.0
CB A:HIS226 4.4 21.9 1.0
N A:GLU163 4.5 27.2 1.0
CD1 A:ILE185 4.6 20.4 1.0
CB A:ILE185 4.6 19.6 1.0
ND1 A:HIS226 4.7 23.9 1.0
C A:CYS164 4.7 29.1 1.0
CA A:ILE185 4.9 19.0 1.0
N A:ALA227 4.9 21.6 1.0
CG A:HIS226 4.9 23.3 1.0

Silver binding site 3 out of 4 in 2g7n

Go back to Silver Binding Sites List in 2g7n
Silver binding site 3 out of 4 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 Silver with other atoms in the Ag binding site number 3 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:Ag453

b:35.1
occ:1.00
 ND1 A:HIS226 2.4 23.9 1.0
SG A:CYS164 2.5 29.8 1.0
CB A:CYS164 2.7 29.4 1.0
AG A:AG452 2.8 40.0 1.0
CB A:HIS226 3.0 21.9 1.0
CG A:HIS226 3.1 23.3 1.0
C A:HIS226 3.5 20.8 1.0
CE1 A:HIS226 3.6 24.5 1.0
CD A:ARG230 3.7 21.0 1.0
N A:ALA227 3.7 21.6 1.0
CA A:CYS164 3.8 29.3 1.0
N A:CYS164 3.8 28.8 1.0
O A:HIS226 3.9 21.2 1.0
CA A:HIS226 3.9 20.9 1.0
O A:GLU223 4.1 17.0 1.0
OE1 A:GLU223 4.2 25.4 1.0
CA A:ALA227 4.2 22.0 1.0
CD2 A:HIS226 4.3 23.8 1.0
NE A:ARG230 4.4 22.0 1.0
O A:HOH611 4.5 26.8 1.0
NE2 A:HIS226 4.5 24.4 1.0
CB A:ALA227 4.8 21.9 1.0
CG A:ARG230 4.9 19.8 1.0
C A:CYS164 4.9 29.1 1.0
C A:GLU163 4.9 28.4 1.0
N A:HIS226 4.9 19.4 1.0

Silver binding site 4 out of 4 in 2g7n

Go back to Silver Binding Sites List in 2g7n
Silver binding site 4 out of 4 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 Silver with other atoms in the Ag binding site number 4 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:Ag454

b:45.7
occ:1.00
 SG A:CYS133 2.5 25.4 1.0
AG A:AG451 2.9 37.5 1.0
CB A:CYS133 3.3 25.4 1.0
CA A:ASP130 3.7 31.9 1.0
OG A:SER145 3.8 32.9 1.0
CG1 A:VAL128 3.8 32.2 1.0
O A:ILE129 4.0 30.9 1.0
CG2 A:VAL128 4.0 32.4 1.0
N A:ASP130 4.2 31.6 1.0
C A:ILE129 4.3 31.2 1.0
CB A:ASP130 4.4 33.5 1.0
C A:ASP130 4.5 31.3 1.0
O A:ASP130 4.5 31.3 1.0
CB A:VAL128 4.6 32.5 1.0
CA A:CYS133 4.6 25.2 1.0
N A:CYS133 4.7 25.6 1.0
O A:HOH584 4.9 50.8 1.0

Reference:

Z.Fu, M.R.Baldwin, G.E.Boldt, A.Crawford, K.D.Janda, J.T.Barbieri, J.-J.P.Kim. Structure of the Light Chain of Botulinum Neurotoxin Serotype A Bound to Small Molecule Inhibitors To Be Published.
Page generated: Wed Jul 10 08:19:36 2024

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