Zinc in PDB 3bta: Crystal Structure of Botulinum Neurotoxin Serotype A

All present enzymatic activity of Crystal Structure of Botulinum Neurotoxin Serotype A:
3.4.24.69;

The structure of Crystal Structure of Botulinum Neurotoxin Serotype A, PDB code: 3bta was solved by R.C.Stevens, D.B.Lacy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 3.20
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	170.120, 170.120, 161.000, 90.00, 90.00, 120.00
R / Rfree (%)	22 / 28

The binding sites of Zinc atom in the Crystal Structure of Botulinum Neurotoxin Serotype A (pdb code 3bta). 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 Botulinum Neurotoxin Serotype A, PDB code: 3bta:

Zinc binding site 1 out of 1 in the Crystal Structure of Botulinum Neurotoxin Serotype A


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 Botulinum Neurotoxin Serotype A within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1311 b:57.0 occ:1.00 OE2 A:GLU261 2.4 28.6 1.0 NE2 A:HIS222 2.7 25.3 1.0 NE2 A:HIS226 2.8 42.7 1.0 OE1 A:GLU261 2.8 28.6 1.0 CD A:GLU261 2.9 28.6 1.0 CD2 A:HIS222 3.0 25.3 1.0 CD2 A:HIS226 3.1 42.7 1.0 CE1 A:HIS222 3.8 25.3 1.0 CE1 A:HIS226 4.0 42.7 1.0 OE2 A:GLU223 4.1 27.8 1.0 CG A:HIS222 4.3 25.3 1.0 OH A:TYR365 4.3 66.4 1.0 CG A:GLU261 4.3 28.6 1.0 CG A:HIS226 4.4 42.7 1.0 OE1 A:GLU223 4.4 27.8 1.0 ND1 A:HIS222 4.7 25.3 1.0 CD A:GLU223 4.7 27.8 1.0 ND1 A:HIS226 4.8 42.7 1.0 CE1 A:TYR365 4.8 66.4 1.0 CZ A:TYR365 4.9 66.4 1.0

D.B.Lacy, W.Tepp, A.C.Cohen, B.R.Dasgupta, R.C.Stevens. Crystal Structure of Botulinum Neurotoxin Type A and Implications For Toxicity. Nat.Struct.Biol. V. 5 898 1998.
ISSN: ISSN 1072-8368
PubMed: 9783750
DOI: 10.1038/2338