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Zinc in PDB 3dse: A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate

Enzymatic activity of A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate

All present enzymatic activity of A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate:
3.4.24.69;

Protein crystallography data

The structure of A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate, PDB code: 3dse was solved by J.E.Zuniga, T.Fenn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.00 / 1.90
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 56.798, 191.054, 42.149, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 24.3

Other elements in 3dse:

The structure of A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate also contains other interesting chemical elements:

Nickel (Ni) 1 atom

Zinc Binding Sites:

The binding sites of Zinc atom in the A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate (pdb code 3dse). 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 A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate, PDB code: 3dse:

Zinc binding site 1 out of 1 in 3dse

Go back to Zinc Binding Sites List in 3dse
Zinc binding site 1 out of 1 in the A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn501

b:18.4
occ:1.00
 NE2 A:HIS223 2.1 13.0 1.0
NE2 A:HIS227 2.2 19.7 1.0
OE1 A:GLU262 2.2 23.0 1.0
O A:HOH602 2.2 15.6 1.0
O A:HOH603 2.2 14.6 1.0
OE2 A:GLU262 2.3 16.8 1.0
CD A:GLU262 2.5 20.6 1.0
CD2 A:HIS227 3.0 21.0 1.0
CD2 A:HIS223 3.0 15.9 1.0
CE1 A:HIS223 3.1 13.7 1.0
CE1 A:HIS227 3.3 18.5 1.0
CG A:GLU262 4.1 17.4 1.0
OH A:TYR366 4.1 19.4 1.0
OE1 A:GLU224 4.1 18.7 1.0
ND1 A:HIS223 4.2 14.1 1.0
CG A:HIS223 4.2 17.9 1.0
CG A:HIS227 4.2 18.7 1.0
ND1 A:HIS227 4.3 18.1 1.0
CE2 A:TYR366 4.6 16.3 1.0
O A:HOH713 4.6 22.1 1.0
CG2 A:THR265 4.8 21.8 1.0
CB A:GLU262 4.8 18.3 1.0
CZ A:TYR366 4.8 20.1 1.0
CD A:GLU224 4.9 17.1 1.0
OE2 A:GLU224 5.0 17.9 1.0
CA A:GLU262 5.0 14.6 1.0

Reference:

J.E.Zuniga, J.J.Schmidt, T.Fenn, J.C.Burnett, D.Arac, R.Gussio, R.G.Stafford, S.S.Badie, S.Bavari, A.T.Brunger. A Potent Peptidomimetic Inhibitor of Botulinum Neurotoxin Serotype A Has A Very Different Conformation Than Snap-25 Substrate Structure V. 16 1588 2008.
ISSN: ISSN 0969-2126
PubMed: 18940613
DOI: 10.1016/J.STR.2008.07.011
Page generated: Thu Oct 24 12:19:30 2024

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