Zinc in PDB 2fpq: Crystal Structure of Botulinum Neurotoxin Type D Light Chain

All present enzymatic activity of Crystal Structure of Botulinum Neurotoxin Type D Light Chain:
3.4.24.69;

The structure of Crystal Structure of Botulinum Neurotoxin Type D Light Chain, PDB code: 2fpq was solved by J.W.Arndt, Q.Chai, T.Christian, R.C.Stevens, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.90 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.829, 89.818, 54.400, 90.00, 94.29, 90.00
R / Rfree (%)	18.2 / 21.9

The structure of Crystal Structure of Botulinum Neurotoxin Type D Light Chain also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Zinc atom in the Crystal Structure of Botulinum Neurotoxin Type D Light Chain (pdb code 2fpq). 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 Type D Light Chain, PDB code: 2fpq:

Zinc binding site 1 out of 1 in the Crystal Structure of Botulinum Neurotoxin Type D Light Chain


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 D Light Chain within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn500 b:34.9 occ:0.70 NE2 A:HIS229 2.0 24.4 1.0 OE1 A:GLU269 2.0 37.5 1.0 O A:HOH674 2.1 46.9 1.0 NE2 A:HIS233 2.2 31.8 1.0 OE2 A:GLU269 2.3 37.7 1.0 CD A:GLU269 2.4 33.4 1.0 CD2 A:HIS229 2.9 28.0 1.0 CE1 A:HIS229 3.0 26.5 1.0 CD2 A:HIS233 3.1 34.2 1.0 CE1 A:HIS233 3.2 31.5 1.0 CD1 A:LEU172 3.7 36.3 0.5 N A:ALA170 3.8 33.9 0.5 CG A:GLU269 3.9 30.3 1.0 ND1 A:HIS229 4.1 25.3 1.0 CA A:THR169 4.1 33.5 0.5 CG A:HIS229 4.1 25.8 1.0 CG A:HIS233 4.2 28.0 1.0 OE2 A:GLU230 4.3 43.0 1.0 OH A:TYR375 4.3 33.8 1.0 ND1 A:HIS233 4.3 32.8 1.0 C A:THR169 4.3 33.4 0.5 CE1 A:TYR375 4.4 32.1 1.0 OG1 A:THR169 4.6 34.9 0.5 OE1 A:GLU230 4.6 49.4 1.0 CB A:ALA170 4.6 34.2 0.5 O A:TYR168 4.6 33.3 0.5 CD2 A:LEU172 4.6 35.9 0.5 CB A:GLU269 4.6 29.5 1.0 CG2 A:THR272 4.7 27.7 1.0 CA A:ALA170 4.7 34.3 0.5 CZ A:TYR375 4.7 31.3 1.0 CA A:GLU269 4.7 29.7 1.0 CG A:LEU172 4.7 36.8 0.5 CD A:GLU230 4.8 37.2 1.0 CB A:THR169 4.9 33.4 0.5 N A:THR169 4.9 33.3 0.5 CB A:THR272 4.9 29.2 1.0

J.W.Arndt, Q.Chai, T.Christian, R.C.Stevens. Structure of Botulinum Neurotoxin Type D Light Chain at 1.65 A Resolution: Repercussions For Vamp-2 Substrate Specificity(,). Biochemistry V. 45 3255 2006.
ISSN: ISSN 0006-2960
PubMed: 16519520
DOI: 10.1021/BI052518R