Zinc in PDB 4l6t: GM1 Bound Form of the Ecx AB5 Holotoxin

The structure of GM1 Bound Form of the Ecx AB5 Holotoxin, PDB code: 4l6t 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)	29.82 / 1.86
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	120.441, 120.441, 273.479, 90.00, 90.00, 120.00
R / Rfree (%)	17.8 / 19.8

The binding sites of Zinc atom in the GM1 Bound Form of the Ecx AB5 Holotoxin (pdb code 4l6t). 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 GM1 Bound Form of the Ecx AB5 Holotoxin, PDB code: 4l6t:

Zinc binding site 1 out of 1 in the GM1 Bound Form of the Ecx AB5 Holotoxin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of GM1 Bound Form of the Ecx AB5 Holotoxin within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:41.5 occ:1.00 NE2 A:HIS179 2.1 43.9 1.0 NE2 A:HIS183 2.1 42.1 1.0 NE2 A:HIS189 2.1 38.0 1.0 O A:HOH434 2.5 42.6 1.0 CE1 A:HIS179 2.9 41.9 1.0 CD2 A:HIS189 2.9 36.3 1.0 CE1 A:HIS183 3.0 39.6 1.0 CD2 A:HIS183 3.1 45.0 1.0 CD2 A:HIS179 3.1 47.0 1.0 CE1 A:HIS189 3.2 45.0 1.0 O A:HOH429 3.4 52.7 1.0 ND1 A:HIS179 4.0 43.7 1.0 ND1 A:HIS183 4.1 41.0 1.0 CG A:HIS189 4.1 35.0 1.0 CG A:HIS179 4.2 46.9 1.0 ND1 A:HIS189 4.2 36.0 1.0 CG A:HIS183 4.2 44.4 1.0 OE2 A:GLU180 4.6 65.4 1.0 CE A:MET218 4.7 38.7 1.0 OE1 A:GLU180 4.9 53.9 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