Zinc in PDB 2a97: Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F

All present enzymatic activity of Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F:
3.4.24.69;

The structure of Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F, PDB code: 2a97 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)	26.05 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	173.400, 53.240, 113.870, 90.00, 119.17, 90.00
R / Rfree (%)	24.1 / 26.9

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

Cadmium

(Cd)

7 atoms

The binding sites of Zinc atom in the Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F (pdb code 2a97). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F, PDB code: 2a97:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1437 b:18.6 occ:1.00 OE1 A:GLU266 2.2 23.9 1.0 NE2 A:HIS227 2.2 33.0 1.0 O A:HOH5595 2.2 21.6 1.0 NE2 A:HIS231 2.3 23.1 1.0 CE1 A:HIS227 2.4 32.3 1.0 OE2 A:GLU266 2.5 22.0 1.0 CD A:GLU266 2.7 19.3 1.0 CD2 A:HIS231 3.1 24.2 1.0 CE1 A:HIS231 3.4 22.5 1.0 CD2 A:HIS227 3.6 30.8 1.0 O A:HOH5585 3.7 31.7 1.0 ND1 A:HIS227 3.7 31.8 1.0 CG A:GLU266 4.2 21.7 1.0 CG A:HIS227 4.3 29.1 1.0 OH A:TYR368 4.3 34.8 1.0 CG A:HIS231 4.3 22.6 1.0 ND1 A:HIS231 4.4 21.2 1.0 OE2 A:GLU228 4.5 29.3 1.0 OE1 A:GLU228 4.8 23.8 1.0 CE1 A:TYR368 4.8 36.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Catalytic Domain of Clostridium Botulinum Neurotoxin Serotype F within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn2437 b:17.6 occ:1.00 O B:HOH5596 2.0 24.6 1.0 NE2 B:HIS227 2.0 31.8 1.0 OE1 B:GLU266 2.2 21.4 1.0 NE2 B:HIS231 2.3 23.5 1.0 CD B:GLU266 2.9 19.6 1.0 OE2 B:GLU266 2.9 25.0 1.0 CE1 B:HIS227 3.0 34.0 1.0 CD2 B:HIS227 3.0 31.0 1.0 CD2 B:HIS231 3.2 22.3 1.0 CE1 B:HIS231 3.3 23.3 1.0 ND1 B:HIS227 4.1 33.0 1.0 CG B:HIS227 4.2 30.4 1.0 CG B:GLU266 4.3 21.8 1.0 CG B:HIS231 4.4 21.1 1.0 ND1 B:HIS231 4.4 23.0 1.0 OE2 B:GLU228 4.6 28.3 1.0 OH B:TYR368 4.7 32.4 1.0 O B:HOH5528 4.8 29.4 1.0 OE1 B:GLU228 4.9 24.8 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