Cadmium in PDB 2a8a: Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain

All present enzymatic activity of Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain:
3.4.24.69;

The structure of Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain, PDB code: 2a8a was solved by R.Agarwal, T.Binz, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.67 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	63.413, 79.463, 89.660, 90.00, 110.01, 90.00
R / Rfree (%)	22.6 / 26.5

The structure of Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Cadmium atom in the Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain (pdb code 2a8a). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 2 binding sites of Cadmium where determined in the Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain, PDB code: 2a8a:
Jump to Cadmium binding site number: 1; 2;

Cadmium binding site 1 out of 2 in the Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd441 b:16.4 occ:0.50 OD2 A:ASP383 2.3 14.4 1.0 OD1 A:ASP383 2.4 12.3 1.0 CG A:ASP383 2.7 16.6 1.0 O A:HOH605 2.8 2.6 1.0 NZ A:LYS93 3.8 12.8 1.0 CB A:ASP383 4.2 14.6 1.0 CE A:LYS93 4.4 11.5 1.0 O A:HOH592 4.4 19.9 1.0 O A:LEU381 4.9 15.7 1.0 CA A:ASP383 5.0 15.5 1.0

Cadmium binding site 2 out of 2 in the Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Clostridium Botulinum Neurotoxin Serotype F Light Chain within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd442 b:32.5 occ:1.00 O A:HOH494 2.2 17.2 1.0 CD2 A:HIS122 2.5 24.7 1.0 CG A:HIS122 3.2 25.1 1.0 CB A:HIS122 3.4 23.4 1.0 NE2 A:HIS122 3.7 27.4 1.0 CA A:HIS122 4.0 24.1 1.0 ND1 A:HIS122 4.5 25.9 1.0 O A:HIS122 4.7 23.1 1.0 CE1 A:HIS122 4.7 25.9 1.0 C A:HIS122 4.8 23.3 1.0

R.Agarwal, T.Binz, S.Swaminathan. Structural Analysis of Botulinum Neurotoxin Serotype F Light Chain: Implications on Substrate Binding and Inhibitor Design Biochemistry V. 44 11758 2005.
ISSN: ISSN 0006-2960
PubMed: 16128577
DOI: 10.1021/BI0510072