Zinc in PDB 6x6x: Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with

The structure of Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with, PDB code: 6x6x was solved by E.Pozharski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.44 / 1.71
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.956, 97.706, 106.366, 90, 90, 90
R / Rfree (%)	19.5 / 22.6

The structure of Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with (pdb code 6x6x). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with, PDB code: 6x6x:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with


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 Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:50.4 occ:1.00 NE2 A:HIS392 2.2 24.2 1.0 O A:HOH807 2.4 31.9 1.0 CE1 A:HIS392 3.2 24.2 1.0 CD2 A:HIS392 3.2 24.4 1.0 O A:HOH753 4.2 33.4 1.0 CG2 A:ILE282 4.2 23.3 1.0 CG A:HIS392 4.3 22.4 1.0 ND1 A:HIS392 4.3 23.7 1.0 O A:HOH688 4.3 31.7 1.0 O A:HOH642 4.8 40.2 1.0

Zinc binding site 2 out of 4 in the Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with


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 Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn502 b:37.0 occ:1.00 OE2 A:GLU120 1.9 35.0 1.0 NE2 A:HIS206 2.3 33.0 1.0 CD A:GLU120 2.7 44.0 1.0 OE1 A:GLU120 2.9 35.0 1.0 CD2 A:HIS206 2.9 33.4 1.0 CE1 A:HIS206 3.5 32.6 1.0 CG A:GLU120 4.2 30.5 1.0 CG A:HIS206 4.2 32.1 1.0 O A:GLY204 4.3 43.2 1.0 ND1 A:HIS206 4.4 33.4 1.0 O A:HOH717 4.8 33.0 1.0

Zinc binding site 3 out of 4 in the Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn501 b:42.6 occ:1.00 OD2 B:ASP52 2.0 47.0 1.0 OE1 B:GLU55 2.0 47.1 1.0 OD1 B:ASP52 2.5 45.8 1.0 CG B:ASP52 2.5 45.9 1.0 CD B:GLU55 3.0 56.6 1.0 OE2 B:GLU55 3.3 53.4 1.0 CB B:ASP52 4.0 37.8 1.0 CB B:VAL54 4.3 28.5 1.0 CG B:GLU55 4.3 33.9 1.0 N B:GLU55 4.4 22.6 1.0 CB B:GLU55 4.8 24.6 1.0 CG2 B:VAL54 4.8 29.0 1.0 O B:HOH641 4.9 30.4 1.0 N B:VAL54 4.9 24.4 1.0 CA B:VAL54 5.0 24.0 1.0

Zinc binding site 4 out of 4 in the Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Enzymatic Binary Toxin Component From Clostridium Difficile in Complex with within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn502 b:40.7 occ:1.00 OE2 B:GLU128 2.3 31.7 1.0 OE1 B:GLU128 2.4 33.3 1.0 CD B:GLU128 2.6 33.6 1.0 NZ B:LYS125 3.2 50.1 1.0 CG B:GLU124 3.2 39.7 1.0 OE1 B:GLU124 3.3 75.7 1.0 CD B:GLU124 3.7 68.8 1.0 CG B:GLU128 4.1 30.3 1.0 NZ B:LYS111 4.2 45.0 1.0 CE B:LYS125 4.3 30.9 1.0 CD B:LYS125 4.3 30.0 1.0 CD B:LYS111 4.5 40.7 1.0 CB B:GLU124 4.6 24.7 1.0 CE B:LYS111 4.8 42.1 1.0 C B:GLU124 4.9 25.7 1.0 O B:GLU124 4.9 25.8 1.0 OE2 B:GLU124 5.0 68.3 1.0

E.Pozharski, E.Pozharski. N/A N/A.