Iodine in PDB 1uo4: Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles

The structure of Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles, PDB code: 1uo4 was solved by M.K.Yadav, J.E.Redman, J.M.Alvarez-Gutierrez, Y.Zhang, C.D.Stout, M.R.Ghadiri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.90 / 1.70
Space group	P 41 3 2
Cell size a, b, c (Å), α, β, γ (°)	79.114, 79.114, 79.114, 90.00, 90.00, 90.00
R / Rfree (%)	22.3 / 25.7

The structure of Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles (pdb code 1uo4). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles, PDB code: 1uo4:

Iodine binding site 1 out of 1 in the Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Structure Based Engineering of Internal Molecular Surfaces of Four Helix Bundles within 5.0Å range: probe atom residue distance (Å) B Occ B:I1033 b:59.7 occ:0.50 I6 B:PIH1033 0.0 59.7 0.5 C6 B:PIH1033 2.0 47.2 0.5 C5 B:PIH1033 2.9 43.4 0.5 C1 B:PIH1033 3.0 45.4 0.5 O B:ILE5 3.8 47.4 1.0 N B:GLY9 3.9 39.7 1.0 CG2 B:ILE5 4.0 53.3 1.0 C4 B:PIH1033 4.0 41.9 0.5 CA B:GLY9 4.1 39.0 1.0 C2 B:PIH1033 4.3 39.6 0.5 CD1 B:ILE12 4.4 29.3 1.0 O A:HOH2001 4.5 54.0 1.0 C B:LYS8 4.5 40.1 1.0 CB B:LYS8 4.6 44.2 1.0 C B:ILE5 4.7 50.6 1.0 C3 B:PIH1033 4.8 40.1 0.5 CA B:ILE5 5.0 51.9 1.0

M.K.Yadav, J.E.Redman, L.J.Leman, J.M.Alvarez-Gutierrez, Y.Zhang, C.D.Stout, M.R.Ghadiri. Structure-Based Engineering of Internal Cavities in Coiled-Coil Peptides Biochemistry V. 44 9723 2005.
ISSN: ISSN 0006-2960
PubMed: 16008357
DOI: 10.1021/BI050742A