Zinc in PDB 4r04: Clostridium Difficile Toxin A (Tcda)

The structure of Clostridium Difficile Toxin A (Tcda), PDB code: 4r04 was solved by D.B.Lacy, B.W.Spiller, S.A.Rutherford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	61.62 / 3.26
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	303.490, 124.540, 75.950, 90.00, 97.50, 90.00
R / Rfree (%)	22.1 / 24.9

The binding sites of Zinc atom in the Clostridium Difficile Toxin A (Tcda) (pdb code 4r04). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Clostridium Difficile Toxin A (Tcda), PDB code: 4r04:

Zinc binding site 1 out of 1 in the Clostridium Difficile Toxin A (Tcda)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Clostridium Difficile Toxin A (Tcda) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1901 b:0.1 occ:1.00 CE1 A:HIS759 2.3 0.1 1.0 OD1 A:ASP545 2.4 0.7 1.0 O A:GLU544 2.4 0.0 1.0 SG A:CYS700 2.7 0.1 1.0 ND1 A:HIS655 2.8 0.5 1.0 NE2 A:HIS759 2.9 0.2 1.0 CG A:HIS655 2.9 0.3 1.0 CB A:HIS655 3.1 0.4 1.0 ND1 A:HIS759 3.2 0.8 1.0 CB A:CYS700 3.4 0.7 1.0 C A:GLU544 3.5 0.1 1.0 CE1 A:HIS655 3.6 0.9 1.0 CG A:ASP545 3.6 1.0 1.0 CD2 A:HIS655 3.7 0.3 1.0 CD2 A:HIS759 3.9 0.2 1.0 CA A:ASP545 3.9 0.7 1.0 CA A:HIS655 4.0 0.1 1.0 NE2 A:HIS655 4.0 1.0 1.0 CG A:HIS759 4.1 0.3 1.0 N A:ASP545 4.1 0.3 1.0 CB A:ASP545 4.4 0.2 1.0 N A:GLY656 4.5 0.1 1.0 CG A:GLU544 4.5 0.1 1.0 OD2 A:ASP545 4.5 0.6 1.0 N A:CYS700 4.6 0.1 1.0 CA A:CYS700 4.7 0.2 1.0 CA A:GLU544 4.7 0.5 1.0 C A:HIS655 4.7 0.5 1.0 O A:GLY656 4.9 0.5 1.0

D.B.Lacy, B.W.Spiller, S.A.Rutherford. Glucosyl Transferase Structure Nat Microbiol 2016.
ISSN: ESSN 2058-5276