Iodine in PDB 5ehb: A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine

The structure of A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine, PDB code: 5ehb was solved by R.Lizatovic, O.Aurelius, O.Stenstrom, T.Drakenberg, M.Akke, D.T.Logan, I.Andre, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.35 / 3.19
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	53.068, 53.068, 136.114, 90.00, 90.00, 120.00
R / Rfree (%)	32.6 / 43.4

The binding sites of Iodine atom in the A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine (pdb code 5ehb). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 3 binding sites of Iodine where determined in the A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine, PDB code: 5ehb:
Jump to Iodine binding site number: 1; 2; 3;

Iodine binding site 1 out of 3 in the A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ A:I5 b:0.2 occ:1.00 IE A:IYR5 0.0 0.2 1.0 CE A:IYR5 2.1 0.2 1.0 CD A:IYR5 3.0 0.2 1.0 CF A:IYR5 3.1 0.2 1.0 OF A:IYR5 3.3 0.2 1.0 CC A:IYR5 4.3 0.2 1.0 CG A:IYR5 4.4 0.2 1.0 CD1 A:LEU8 4.7 0.2 1.0 CH A:IYR5 4.9 0.2 1.0

Iodine binding site 2 out of 3 in the A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ B:I5 b:0.2 occ:0.50 IE B:IYR5 0.0 0.2 0.5 CE B:IYR5 2.1 0.2 0.5 CG B:IYR5 2.4 0.2 0.5 CF B:IYR5 2.6 0.2 0.5 OF B:IYR5 2.7 0.2 0.5 CD B:IYR5 3.1 0.2 0.5 CF B:IYR5 3.1 0.2 0.5 OF B:IYR5 3.3 0.2 0.5 CH B:IYR5 3.4 0.2 0.5 CE B:IYR5 3.8 0.2 0.5 CC B:IYR5 4.3 0.2 0.5 CG2 B:THR1 4.4 0.2 1.0 CG B:IYR5 4.4 0.2 0.5 CC B:IYR5 4.4 0.2 0.5 CD B:IYR5 4.5 0.2 0.5 CH B:IYR5 4.9 0.2 0.5

Iodine binding site 3 out of 3 in the A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 3 of A De Novo Designed Hexameric Coiled-Coil Peptide with Iodotyrosine within 5.0Å range: probe atom residue distance (Å) B Occ B:I5 b:0.2 occ:0.50 IE B:IYR5 0.0 0.2 0.5 CE B:IYR5 2.1 0.2 0.5 OF B:IYR5 2.7 0.2 0.5 CG B:IYR5 2.7 0.2 0.5 CF B:IYR5 2.8 0.2 0.5 CD B:IYR5 3.1 0.2 0.5 CF B:IYR5 3.1 0.2 0.5 OF B:IYR5 3.3 0.2 0.5 CH B:IYR5 3.7 0.2 0.5 CE B:IYR5 3.9 0.2 0.5 CD1 B:LEU8 4.4 0.2 1.0 CG B:IYR5 4.4 0.2 0.5 CC B:IYR5 4.4 0.2 0.5 CC B:IYR5 4.6 0.2 0.5 CD B:IYR5 4.7 0.2 0.5 CH B:IYR5 4.9 0.2 0.5

R.Lizatovic, O.Aurelius, O.Stenstrom, T.Drakenberg, M.Akke, D.T.Logan, I.Andre. A De Novo Designed Coiled-Coil Peptide with A Reversible pH-Induced Oligomerization Switch. Structure V. 24 946 2016.
ISSN: ISSN 0969-2126
PubMed: 27161978
DOI: 10.1016/J.STR.2016.03.027