Zinc in PDB 6f47: Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin X

The structure of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin X, PDB code: 6f47 was solved by G.Masuyer, L.Henriksson, S.Kosenina, S.Zhang, S.Barkho, Y.Shen, M.Dong, P.Stenmark, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.45 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.340, 86.732, 93.079, 90.00, 90.00, 90.00
R / Rfree (%)	14.3 / 17.6

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin X (pdb code 6f47). 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 the Catalytic Domain of Botulinum Neurotoxin X, PDB code: 6f47:

Zinc binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin X


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 the Catalytic Domain of Botulinum Neurotoxin X within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1001 b:18.4 occ:0.30 OE1 A:GLU266 2.0 22.2 1.0 NE2 A:HIS227 2.1 18.7 1.0 NE2 A:HIS231 2.1 16.2 1.0 OE2 A:GLU266 2.1 28.6 1.0 O A:HOH1289 2.3 28.5 1.0 CD A:GLU266 2.4 23.1 1.0 O A:HOH1121 2.8 44.8 1.0 CD2 A:HIS227 2.9 16.7 1.0 CE1 A:HIS231 3.1 16.4 1.0 CD2 A:HIS231 3.1 15.1 1.0 CE1 A:HIS227 3.2 19.7 1.0 CG A:GLU266 3.9 21.2 1.0 OH A:TYR363 4.1 26.0 1.0 CG A:HIS227 4.1 14.3 1.0 CE1 A:TYR363 4.1 21.6 1.0 ND1 A:HIS231 4.2 15.2 1.0 ND1 A:HIS227 4.2 17.0 1.0 OE2 A:GLU228 4.2 19.4 1.0 CG A:HIS231 4.2 12.8 1.0 O A:HOH1407 4.4 24.9 1.0 CZ A:TYR363 4.4 22.9 1.0 CG2 A:THR269 4.5 13.1 1.0 OE1 A:GLU228 4.6 15.5 1.0 O A:HOH1534 4.6 35.7 1.0 O A:HOH1480 4.7 34.4 1.0 CB A:GLU266 4.7 17.4 1.0 CD A:GLU228 4.8 14.1 1.0 CB A:THR269 4.9 12.4 1.0 CA A:GLU266 5.0 14.7 1.0

G.Masuyer, S.Zhang, S.Barkho, Y.Shen, L.Henriksson, S.Kosenina, M.Dong, P.Stenmark. Structural Characterisation of the Catalytic Domain of Botulinum Neurotoxin X - High Activity and Unique Substrate Specificity. Sci Rep V. 8 4518 2018.
ISSN: ESSN 2045-2322
PubMed: 29540745
DOI: 10.1038/S41598-018-22842-4