Zinc in PDB 4l63: Apo Form of AB5 Holotoxin

The structure of Apo Form of AB5 Holotoxin, PDB code: 4l63 was solved by D.R.Littler, N.M.Ng, J.Rossjohn, T.Beddoe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.21 / 1.80
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	120.530, 120.530, 273.510, 90.00, 90.00, 120.00
R / Rfree (%)	17.7 / 19.7

The binding sites of Zinc atom in the Apo Form of AB5 Holotoxin (pdb code 4l63). 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 Apo Form of AB5 Holotoxin, PDB code: 4l63:

Zinc binding site 1 out of 1 in the Apo Form of AB5 Holotoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Apo Form of AB5 Holotoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:56.6 occ:1.00 NE2 A:HIS189 2.1 42.8 1.0 NE2 A:HIS179 2.1 46.0 1.0 NE2 A:HIS183 2.2 47.0 1.0 O A:HOH462 2.5 50.7 1.0 CE1 A:HIS189 3.0 42.9 1.0 CD2 A:HIS179 3.1 48.3 1.0 CD2 A:HIS189 3.1 40.6 1.0 CE1 A:HIS179 3.1 45.6 1.0 CD2 A:HIS183 3.1 48.2 1.0 CE1 A:HIS183 3.2 43.9 1.0 ND1 A:HIS189 4.1 40.8 1.0 OE2 A:GLU180 4.2 72.5 1.0 CG A:HIS189 4.2 39.4 1.0 ND1 A:HIS179 4.2 45.1 1.0 CG A:HIS179 4.2 51.8 1.0 ND1 A:HIS183 4.3 44.5 1.0 CG A:HIS183 4.3 47.9 1.0 O A:HOH450 4.7 58.4 1.0 O A:HOH423 4.9 50.4 1.0 OE1 A:GLU180 4.9 62.3 1.0 CD A:GLU180 4.9 67.3 1.0 CE A:MET218 5.0 42.0 1.0

N.M.Ng, D.R.Littler, A.W.Paton, J.Le Nours, J.Rossjohn, J.C.Paton, T.Beddoe. Ecxab Is A Founding Member of A New Family of Metalloprotease AB5 Toxins with A Hybrid Cholera-Like B Subunit. Structure V. 21 2003 2013.
ISSN: ISSN 0969-2126
PubMed: 24095060
DOI: 10.1016/J.STR.2013.08.024