Iodine in PDB 7jqr: Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation

The structure of Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation, PDB code: 7jqr was solved by A.G.Kreutzer, K.J.Mcknelly, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.28 / 2.07
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	47.219, 47.219, 47.219, 90, 90, 90
R / Rfree (%)	20.3 / 25.4

The binding sites of Iodine atom in the Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation (pdb code 7jqr). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation, PDB code: 7jqr:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:I101 b:89.7 occ:0.33 I A:IOD102 3.5 71.8 0.3

Iodine binding site 2 out of 3 in the Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:I102 b:71.8 occ:0.33 I A:IOD101 3.5 89.7 0.3

Iodine binding site 3 out of 3 in the Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of Abeta 16-36 Beta-Hairpin Mimic with E22G Arctic Mutation within 5.0Å range: probe atom residue distance (Å) B Occ A:I103 b:84.1 occ:1.00 HD12 A:ILE13 3.1 45.0 1.0 HE1 A:ORN10 3.1 74.3 1.0 HA A:ALA8 3.2 47.4 1.0 O A:PHE7 3.4 26.7 1.0 C A:ALA8 3.5 49.1 1.0 O A:ALA8 3.5 49.6 1.0 HD3 A:ORN10 3.6 76.6 1.0 NE A:ORN10 3.6 61.9 1.0 CA A:ALA8 3.6 39.4 1.0 HB3 A:PHE7 3.7 31.0 1.0 C A:PHE7 3.7 27.7 1.0 N A:ALA8 3.7 33.0 1.0 O A:ALA11 3.8 33.4 1.0 CD1 A:ILE13 3.9 37.4 1.0 HG13 A:ILE13 3.9 38.8 1.0 N A:GLY9 3.9 58.9 1.0 HD11 A:ILE13 3.9 45.0 1.0 HB2 A:PHE7 4.0 31.0 1.0 HB A:ILE13 4.0 32.1 1.0 CD A:ORN10 4.1 63.7 1.0 HG3 A:ORN10 4.2 63.3 1.0 CB A:PHE7 4.2 25.8 1.0 H A:ALA8 4.3 39.7 1.0 H A:GLY9 4.3 70.8 1.0 H A:ILE13 4.3 27.4 1.0 CG1 A:ILE13 4.3 32.3 1.0 C A:GLY9 4.3 71.6 1.0 O A:HOH208 4.3 41.8 1.0 HA A:ILE12 4.5 33.6 1.0 CA A:GLY9 4.5 72.7 1.0 HA3 A:GLY9 4.6 87.3 1.0 CA A:PHE7 4.6 25.6 1.0 HD13 A:ILE13 4.7 45.0 1.0 CB A:ILE13 4.7 26.6 1.0 CG A:ORN10 4.7 52.7 1.0 N A:ILE13 4.8 22.8 1.0

K.J.Mcknelly, J.S.Nowick. Effects of Familial Alzheimer'S Disease Mutations on the Assembly of A Constrained Beta-Hairpin Peptide Derived From Abeta To Be Published.