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Zinc in PDB 3zus: Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A

Enzymatic activity of Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A

All present enzymatic activity of Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A:
3.4.24.69;

Protein crystallography data

The structure of Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A, PDB code: 3zus was solved by G.Masuyer, P.Stancombe, J.A.Chaddock, K.R.Acharya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 130.81 / 2.95
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 89.179, 204.969, 130.883, 90.00, 91.91, 90.00
R / Rfree (%) 24.8 / 29.3

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A (pdb code 3zus). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A, PDB code: 3zus:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 3zus

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Zinc binding site 1 out of 4 in the Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-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 An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn1916

b:38.8
occ:1.00
 OE2 A:GLU262 1.8 28.5 1.0
NE2 A:HIS223 2.2 21.6 1.0
NE2 A:HIS227 2.2 22.9 1.0
CD A:GLU262 2.6 29.2 1.0
OE1 A:GLU262 2.7 29.8 1.0
CD2 A:HIS227 3.0 23.0 1.0
CE1 A:HIS223 3.1 21.8 1.0
CD2 A:HIS223 3.2 21.4 1.0
CE1 A:HIS227 3.2 23.2 1.0
OE2 A:GLU224 3.9 24.4 1.0
CG A:GLU262 4.0 28.7 1.0
CG A:HIS227 4.1 23.1 1.0
ND1 A:HIS223 4.2 21.5 1.0
ND1 A:HIS227 4.2 23.1 1.0
CG A:HIS223 4.3 21.3 1.0
CD A:GLU224 4.8 24.2 1.0
CB A:GLU262 5.0 28.6 1.0
OE1 A:GLU224 5.0 24.9 1.0

Zinc binding site 2 out of 4 in 3zus

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Zinc binding site 2 out of 4 in the Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A


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 An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn1916

b:75.0
occ:1.00
 OE2 B:GLU262 1.6 30.3 1.0
O B:HOH2005 1.8 10.4 1.0
NE2 B:HIS227 2.1 25.4 1.0
NE2 B:HIS223 2.2 23.9 1.0
CD B:GLU262 2.4 31.1 1.0
OE1 B:GLU262 2.6 31.3 1.0
CD2 B:HIS227 2.9 25.4 1.0
CD2 B:HIS223 3.0 23.8 1.0
CE1 B:HIS227 3.1 25.6 1.0
CE1 B:HIS223 3.2 24.1 1.0
CG B:GLU262 3.9 30.6 1.0
CG B:HIS227 4.1 25.2 1.0
ND1 B:HIS227 4.1 25.4 1.0
CG B:HIS223 4.2 23.7 1.0
OE2 B:GLU224 4.2 26.6 1.0
ND1 B:HIS223 4.3 23.9 1.0
CB B:GLU262 4.8 30.4 1.0
CA B:GLU262 5.0 30.4 1.0
CD B:GLU224 5.0 26.4 1.0

Zinc binding site 3 out of 4 in 3zus

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Zinc binding site 3 out of 4 in the Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn1916

b:45.6
occ:1.00
 NE2 C:HIS227 2.3 33.4 1.0
NE2 C:HIS223 2.3 30.3 1.0
OE2 C:GLU262 2.4 36.5 1.0
OE1 C:GLU262 2.4 37.8 1.0
CD C:GLU262 2.7 37.0 1.0
CD2 C:HIS227 3.0 33.9 1.0
CD2 C:HIS223 3.0 30.8 1.0
CE1 C:HIS227 3.2 34.0 1.0
CE1 C:HIS223 3.5 30.4 1.0
OE2 C:GLU224 3.9 33.8 1.0
CG C:HIS227 4.1 34.8 1.0
ND1 C:HIS227 4.1 34.8 1.0
CG C:HIS223 4.2 30.9 1.0
CG C:GLU262 4.3 36.4 1.0
OE1 C:GLU224 4.4 35.6 1.0
ND1 C:HIS223 4.4 30.8 1.0
CD C:GLU224 4.5 34.6 1.0

Zinc binding site 4 out of 4 in 3zus

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Zinc binding site 4 out of 4 in the Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of An Engineered Botulinum Neurotoxin Type A- SNARE23 Derivative, Lc-A-SNAP23-Hn-A within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn1917

b:83.9
occ:1.00
 OE2 D:GLU262 2.0 36.2 1.0
NE2 D:HIS223 2.2 29.6 1.0
O D:HOH2003 2.5 71.5 1.0
NE2 D:HIS227 2.6 33.3 1.0
CD D:GLU262 2.6 36.8 1.0
OE1 D:GLU262 2.7 37.6 1.0
CD2 D:HIS223 2.9 30.0 1.0
CD2 D:HIS227 3.3 33.3 1.0
CE1 D:HIS223 3.4 29.6 1.0
CE1 D:HIS227 3.7 33.6 1.0
OE2 D:GLU224 3.8 33.5 1.0
CG D:GLU262 4.1 36.0 1.0
CG D:HIS223 4.2 29.9 1.0
ND1 D:HIS223 4.4 29.7 1.0
CG D:HIS227 4.5 33.8 1.0
CD D:GLU224 4.5 33.7 1.0
OE1 D:GLU224 4.6 34.8 1.0
ND1 D:HIS227 4.6 34.0 1.0

Reference:

G.Masuyer, P.Stancombe, J.A.Chaddock, K.R.Acharya. Structures of Engineered Clostridium Botulinum Neurotoxin Derivatives Acta Crystallogr.,Sect.F V. 67 1466 2011.
ISSN: ESSN 1744-3091
PubMed: 22139146
DOI: 10.1107/S1744309111034671
Page generated: Sat Oct 26 18:41:39 2024

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