Zinc in PDB 2nz9: Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2

All present enzymatic activity of Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2:
3.4.24.69;

The structure of Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2, PDB code: 2nz9 was solved by R.C.Stevens, J.W.Arndt, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 3.79
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	97.965, 197.596, 146.105, 90.00, 91.18, 90.00
R / Rfree (%)	22.4 / 27.8

The structure of Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2 (pdb code 2nz9). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2, PDB code: 2nz9:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2


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 Type A Complexed with Monoclonal Antibody AR2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn1 b:81.1 occ:1.00 NE2 A:HIS223 2.1 74.4 1.0 NE2 A:HIS227 2.2 82.8 1.0 OE2 A:GLU262 2.2 83.0 1.0 OE1 A:GLU262 2.4 82.9 1.0 CD A:GLU262 2.6 83.3 1.0 CD2 A:HIS227 2.9 82.9 1.0 CD2 A:HIS223 3.0 74.6 1.0 CE1 A:HIS223 3.1 74.8 1.0 CE1 A:HIS227 3.2 82.7 1.0 OE2 A:GLU224 3.9 84.1 1.0 CG A:GLU262 4.0 84.0 1.0 CG A:HIS227 4.1 81.3 1.0 ND1 A:HIS223 4.2 74.2 1.0 CG A:HIS223 4.2 75.2 1.0 ND1 A:HIS227 4.2 82.0 1.0 CD A:GLU224 4.7 83.6 1.0 OE1 A:GLU224 4.8 84.7 1.0 CG2 A:THR265 4.9 86.1 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn1297 b:72.8 occ:1.00 OE2 B:GLU262 1.8 87.3 1.0 NE2 B:HIS223 1.9 79.4 1.0 NE2 B:HIS227 2.3 92.9 1.0 CD B:GLU262 2.3 88.6 1.0 OE1 B:GLU262 2.4 89.7 1.0 CD2 B:HIS223 2.8 80.5 1.0 CD2 B:HIS227 3.0 92.1 1.0 CE1 B:HIS223 3.0 80.2 1.0 CE1 B:HIS227 3.4 92.4 1.0 CG B:GLU262 3.8 87.8 1.0 CG B:HIS223 4.0 80.3 1.0 OE2 B:GLU224 4.0 86.1 1.0 ND1 B:HIS223 4.1 79.7 1.0 CG B:HIS227 4.2 88.9 1.0 ND1 B:HIS227 4.4 91.3 1.0 CG2 B:THR265 4.7 87.7 1.0 CD B:GLU224 4.9 84.9 1.0 CB B:GLU262 4.9 87.3 1.0 OE1 B:GLU224 5.0 86.7 1.0

C.Garcia-Rodriguez, R.Levy, J.W.Arndt, C.M.Forsyth, A.Razai, J.Lou, I.Geren, R.C.Stevens, J.D.Marks. Molecular Evolution of Antibody Cross-Reactivity For Two Subtypes of Type A Botulinum Neurotoxin. Nat.Biotechnol. V. 25 107 2007.
ISSN: ISSN 1087-0156
PubMed: 17173035
DOI: 10.1038/NBT1269