Nickel in PDB 6f0p: Botulinum Neurotoxin A4 Hc Domain

The structure of Botulinum Neurotoxin A4 Hc Domain, PDB code: 6f0p was solved by J.R.Davies, J.Rees, S.M.Liu, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.95 / 1.34
Space group	P 21 3
Cell size a, b, c (Å), α, β, γ (°)	115.888, 115.888, 115.888, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 15.8

The binding sites of Nickel atom in the Botulinum Neurotoxin A4 Hc Domain (pdb code 6f0p). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Botulinum Neurotoxin A4 Hc Domain, PDB code: 6f0p:

Nickel binding site 1 out of 1 in the Botulinum Neurotoxin A4 Hc Domain


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Botulinum Neurotoxin A4 Hc Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1401 b:19.0 occ:1.00 ND1 A:HIS1259 2.0 19.7 1.0 N A:BTB1409 2.1 20.1 1.0 O8 A:BTB1409 2.1 26.2 1.0 O4 A:BTB1409 2.1 22.4 1.0 O3 A:BTB1409 2.1 21.1 1.0 O6 A:BTB1409 2.2 27.7 1.0 C2 A:BTB1409 2.9 19.4 1.0 C4 A:BTB1409 2.9 21.4 1.0 CE1 A:HIS1259 2.9 23.9 1.0 C8 A:BTB1409 2.9 23.4 1.0 C5 A:BTB1409 2.9 25.9 1.0 C3 A:BTB1409 3.0 21.9 1.0 C7 A:BTB1409 3.0 25.3 1.0 C6 A:BTB1409 3.0 25.7 1.0 CG A:HIS1259 3.1 19.3 1.0 CB A:HIS1259 3.5 18.7 1.0 CG A:GLU1209 4.0 43.9 1.0 OE1 A:GLU1209 4.0 50.5 1.0 CD A:GLU1209 4.0 55.7 1.0 NE2 A:HIS1259 4.1 23.9 1.0 CA A:HIS1259 4.1 17.3 1.0 CD2 A:HIS1259 4.2 22.8 1.0 O A:PHE1258 4.2 16.8 1.0 C1 A:BTB1409 4.2 20.0 1.0 OE2 A:GLU1209 4.6 67.6 1.0

J.R.Davies, J.Rees, S.M.Liu, K.R.Acharya. High Resolution Crystal Structures of Clostridium Botulinum Neurotoxin A3 and A4 Binding Domains. J. Struct. Biol. V. 202 113 2018.
ISSN: ESSN 1095-8657
PubMed: 29288126
DOI: 10.1016/J.JSB.2017.12.010