Zinc in PDB 7k84: Crystal Structure of Bont/E Lc-Hn Domain in Complex with Vhh Jle-E5

The structure of Crystal Structure of Bont/E Lc-Hn Domain in Complex with Vhh Jle-E5, PDB code: 7k84 was solved by K.Lam, R.Jin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.42 / 2.50
Space group	P 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	96.086, 49.877, 133.508, 90.00, 101.04, 90.00
R / Rfree (%)	22.6 / 24.1

The binding sites of Zinc atom in the Crystal Structure of Bont/E Lc-Hn Domain in Complex with Vhh Jle-E5 (pdb code 7k84). 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 Crystal Structure of Bont/E Lc-Hn Domain in Complex with Vhh Jle-E5, PDB code: 7k84:

Zinc binding site 1 out of 1 in the Crystal Structure of Bont/E Lc-Hn Domain in Complex with Vhh Jle-E5


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 Bont/E Lc-Hn Domain in Complex with Vhh Jle-E5 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn901 b:0.5 occ:1.00 OE1 A:GLU251 1.9 93.7 1.0 NE2 A:HIS212 2.2 70.3 1.0 NE2 A:HIS216 2.3 85.0 1.0 CD A:GLU251 2.7 79.7 1.0 CD2 A:HIS212 2.9 63.4 1.0 OE2 A:GLU251 3.0 90.7 1.0 CD2 A:HIS216 3.0 79.6 1.0 OH A:TYR351 3.3 71.4 1.0 CE1 A:HIS212 3.3 66.3 1.0 CE1 A:HIS216 3.4 80.5 1.0 OE2 A:GLU213 3.7 65.7 1.0 CZ A:TYR351 4.0 71.6 1.0 CG A:HIS212 4.1 60.4 1.0 CG A:GLU251 4.2 72.5 1.0 CG A:HIS216 4.3 75.5 1.0 CE2 A:TYR351 4.3 67.2 1.0 ND1 A:HIS212 4.3 63.0 1.0 OE1 A:GLU213 4.4 65.5 1.0 CD A:GLU213 4.4 65.0 1.0 ND1 A:HIS216 4.4 79.3 1.0 CB A:GLU251 4.6 68.2 1.0 CA A:GLU251 4.8 65.2 1.0 CE1 A:TYR351 4.9 69.1 1.0

K.H.Lam, K.Perry, C.B.Shoemaker, R.Jin. Two Vhh Antibodies Neutralize Botulinum Neurotoxin E1 By Blocking Its Membrane Translocation in Host Cells. Toxins V. 12 2020.
ISSN: ESSN 2072-6651
PubMed: 32992561
DOI: 10.3390/TOXINS12100616