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Nickel 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:

Zinc (Zn) 1 atom

Nickel Binding Sites:

The binding sites of Nickel 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 Nickel atom.
In total only one binding site of Nickel 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:

Nickel binding site 1 out of 1 in 3dse

Go back to Nickel Binding Sites List in 3dse
Nickel 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 Nickel with other atoms in the Ni 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:Ni502

b:20.2
occ:1.00
NZ A:LYS272 2.2 18.7 1.0
O A:HOH600 2.2 18.3 1.0
CE1 A:HIS269 2.2 16.7 1.0
O A:HOH601 2.2 21.9 1.0
O A:HOH1105 2.3 15.3 1.0
NE2 A:HIS269 2.9 17.1 1.0
CE A:LYS272 3.1 19.6 1.0
ND1 A:HIS269 3.3 20.9 1.0
CD2 A:HIS269 4.1 11.5 1.0
CG A:HIS269 4.4 14.8 1.0
CD A:LYS272 4.4 21.6 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 29 06:19:40 2020
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