Zinc in PDB 8wen: Bacteroides Fragilis Toxin 2

The structure of Bacteroides Fragilis Toxin 2, PDB code: 8wen was solved by Y.Guo, Y.Wen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.26 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	87.354, 99.579, 114.713, 90, 90, 90
R / Rfree (%)	18 / 21

The structure of Bacteroides Fragilis Toxin 2 also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Zinc atom in the Bacteroides Fragilis Toxin 2 (pdb code 8wen). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Bacteroides Fragilis Toxin 2, PDB code: 8wen:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Bacteroides Fragilis Toxin 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Bacteroides Fragilis Toxin 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn401 b:69.0 occ:1.00 NE2 C:HIS348 2.2 36.2 1.0 NE2 C:HIS352 2.3 57.1 1.0 NE2 C:HIS358 2.3 62.8 1.0 O C:HOH632 2.7 53.5 1.0 CD2 C:HIS352 3.0 51.5 1.0 CD2 C:HIS348 3.1 38.0 1.0 CD2 C:HIS358 3.2 55.5 1.0 CB C:TYR191 3.2 60.1 1.0 CE1 C:HIS358 3.2 61.5 1.0 CE1 C:HIS348 3.2 39.2 1.0 CE1 C:HIS352 3.4 51.8 1.0 CG C:TYR191 3.7 57.4 1.0 CG C:HIS352 4.2 52.0 1.0 CD1 C:TYR191 4.2 53.2 1.0 ND1 C:HIS358 4.3 67.0 1.0 CG C:HIS358 4.3 59.4 1.0 CG C:HIS348 4.3 39.2 1.0 ND1 C:HIS348 4.3 40.8 1.0 CD2 C:TYR191 4.3 48.8 1.0 ND1 C:HIS352 4.4 50.8 1.0 CA C:TYR191 4.6 69.0 1.0 N C:ILE192 4.6 77.8 1.0 OE1 C:GLU349 4.6 40.9 1.0 O C:ILE192 4.6 84.2 1.0 CE C:MET366 4.7 40.1 1.0 C C:TYR191 4.8 73.1 1.0

Zinc binding site 2 out of 2 in the Bacteroides Fragilis Toxin 2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Bacteroides Fragilis Toxin 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:59.4 occ:1.00 NE2 A:HIS352 2.1 47.2 1.0 NE2 A:HIS358 2.2 53.3 1.0 NE2 A:HIS348 2.3 45.8 1.0 O A:HOH664 2.8 58.5 1.0 CD2 A:HIS352 2.9 41.9 1.0 CD2 A:HIS358 3.1 49.4 1.0 CE1 A:HIS358 3.2 55.7 1.0 CD2 A:HIS348 3.2 37.4 1.0 CE1 A:HIS348 3.2 44.4 1.0 CE1 A:HIS352 3.3 45.2 1.0 CB A:TYR191 4.0 66.7 1.0 CG A:HIS352 4.2 41.9 1.0 CG A:HIS358 4.2 59.4 1.0 CG A:TYR191 4.2 63.5 1.0 ND1 A:HIS358 4.2 59.2 1.0 ND1 A:HIS352 4.3 45.1 1.0 ND1 A:HIS348 4.4 42.0 1.0 N A:ILE196 4.4 69.2 1.0 CG A:HIS348 4.4 40.2 1.0 CD2 A:TYR191 4.4 60.8 1.0 CE A:MET366 4.7 34.8 1.0 CD1 A:TYR191 4.7 54.1 1.0 OE1 A:GLU349 4.8 40.1 1.0 CB A:ILE196 4.8 53.3 1.0

Y.Guo, Y.Wen. Bacteroides Fragilis Toxin 2 To Be Published.