Calcium 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:

Zinc

(Zn)

2 atoms

The binding sites of Calcium 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 Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Botulinum Neurotoxin Type A Complexed with Monoclonal Antibody AR2, PDB code: 2nz9:
Jump to Calcium binding site number: 1; 2;

Calcium 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 Calcium with other atoms in the Ca 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:Ca1297 b:0.0 occ:1.00 OE2 A:GLU347 3.1 83.3 1.0 OE2 A:GLU279 3.7 92.1 1.0 OE1 A:GLU279 3.9 93.1 1.0 CD A:GLU347 4.1 80.7 1.0 OE1 A:GLU347 4.2 83.0 1.0 NZ A:LYS711 4.2 85.2 1.0 CD A:GLU279 4.2 91.4 1.0 NZ A:LYS343 4.4 78.4 1.0

Calcium 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 Calcium with other atoms in the Ca 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:Ca1298 b:0.1 occ:1.00 OE1 B:GLU279 3.3 98.0 1.0 NZ B:LYS711 3.4 85.5 1.0 OE2 B:GLU279 3.6 96.8 1.0 CD B:GLU279 3.8 95.6 1.0 OE2 B:GLU347 3.9 87.3 1.0 CE B:LYS711 4.6 84.5 1.0 CD B:GLU347 4.8 83.0 1.0 OE1 B:GLU347 5.0 85.8 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