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Zinc in PDB 3dda: Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide

Enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide

All present enzymatic activity of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide, PDB code: 3dda was solved by D.Kumaran, S.Swaminathan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.14 / 1.50
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 49.143, 66.192, 64.818, 90.00, 99.09, 90.00
R / Rfree (%) 18.3 / 20

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide (pdb code 3dda). 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 the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide, PDB code: 3dda:

Zinc binding site 1 out of 1 in 3dda

Go back to Zinc Binding Sites List in 3dda
Zinc binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide


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 the Catalytic Domain of Botulinum Neurotoxin Serotype A with A Snap-25 Peptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn450

b:12.2
occ:1.00
 OE1 A:GLU262 2.0 13.2 1.0
NE2 A:HIS223 2.1 8.4 1.0
N B:GLN197 2.1 17.4 1.0
NE2 A:HIS227 2.1 9.5 1.0
O B:GLN197 2.4 17.1 1.0
OE2 A:GLU262 2.4 19.1 1.0
CD A:GLU262 2.5 13.7 1.0
C B:GLN197 2.9 20.6 1.0
CA B:GLN197 2.9 20.4 1.0
CD2 A:HIS227 3.0 8.1 1.0
CD2 A:HIS223 3.0 8.1 1.0
CE1 A:HIS223 3.1 8.5 1.0
CE1 A:HIS227 3.2 10.2 1.0
CB B:GLN197 3.5 23.3 1.0
OH A:TYR366 4.0 11.7 1.0
CG A:GLU262 4.0 10.7 1.0
N B:ARG198 4.1 21.3 1.0
OE2 A:GLU224 4.1 11.3 1.0
CG A:HIS227 4.2 7.6 1.0
CG A:HIS223 4.2 8.0 1.0
ND1 A:HIS223 4.2 8.0 1.0
ND1 A:HIS227 4.2 8.9 1.0
CE1 A:TYR366 4.4 10.1 1.0
CZ A:TYR366 4.5 10.1 1.0
O A:HOH527 4.6 17.3 1.0
CB A:GLU262 4.8 8.3 1.0
CA B:ARG198 4.8 21.9 1.0
CD A:GLU224 4.8 10.4 1.0
OE1 A:GLU224 4.8 8.9 1.0
CA A:GLU262 4.9 7.6 1.0
CG B:GLN197 4.9 28.4 1.0
CG2 A:THR265 5.0 7.3 1.0

Reference:

D.Kumaran, R.Rawat, S.A.Ahmed, S.Swaminathan. Substrate Binding Mode and Its Implication on Drug Design For Botulinum Neurotoxin A Plos Pathog. V. 4 E1000 2008.
ISSN: ISSN 1553-7366
PubMed: 18818739
DOI: 10.1371/JOURNAL.PPAT.1000165
Page generated: Wed Dec 16 04:12:50 2020

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