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Zinc in PDB 3ds9: 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: 3ds9 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) 43.01 / 1.76
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 58.799, 189.205, 42.303, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24.8

Other elements in 3ds9:

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 3ds9). 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: 3ds9:

Zinc binding site 1 out of 1 in 3ds9

Go back to Zinc Binding Sites List in 3ds9
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:Zn500

b:18.2
occ:1.00
NE2 A:HIS227 2.1 17.5 1.0
NE2 A:HIS223 2.1 14.6 1.0
OE1 A:GLU262 2.2 17.3 1.0
OE2 A:GLU262 2.2 13.9 1.0
O B:01W197 2.2 15.9 1.0
N B:01W197 2.3 17.5 1.0
CD A:GLU262 2.5 17.4 1.0
C B:01W197 3.0 14.8 1.0
CD2 A:HIS227 3.0 17.1 1.0
CD2 A:HIS223 3.1 17.8 1.0
CA B:01W197 3.1 13.6 1.0
CE1 A:HIS227 3.1 12.8 1.0
CE1 A:HIS223 3.2 15.4 1.0
CB B:01W197 3.7 19.8 1.0
CG A:GLU262 4.0 20.2 1.0
OH A:TYR366 4.0 15.7 1.0
CG A:HIS227 4.2 12.5 1.0
ND1 A:HIS227 4.2 14.7 1.0
CG A:HIS223 4.2 15.3 1.0
N B:ARG198 4.3 17.1 1.0
ND1 A:HIS223 4.3 13.8 1.0
OE2 A:GLU224 4.3 16.0 1.0
CE1 A:TYR366 4.4 8.1 1.0
O A:HOH630 4.4 24.7 1.0
O A:HOH811 4.5 18.0 1.0
CZ A:TYR366 4.6 13.9 1.0
CB A:GLU262 4.8 19.1 1.0
CA B:ARG198 4.9 13.8 1.0
C1 B:01W197 5.0 25.2 1.0
C7 B:01W197 5.0 19.1 1.0
OE1 A:GLU224 5.0 17.8 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: Wed Dec 16 04:13:43 2020

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