Iodine in PDB 4x0s: Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69).

The structure of Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69)., PDB code: 4x0s was solved by R.K.Spencer, P.J.Salveson, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.62 / 2.03
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	51.065, 51.065, 31.423, 90.00, 90.00, 120.00
R / Rfree (%)	16.5 / 20.2

The structure of Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69). also contains other interesting chemical elements:

Chlorine	(Cl)	1 atom
Sodium	(Na)	1 atom

The binding sites of Iodine atom in the Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69). (pdb code 4x0s). 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 Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69)., PDB code: 4x0s:

Iodine binding site 1 out of 1 in the Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69).


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Hexamer Formed By A Macrocycle Containing A Sequence From Beta-2- Microglobulin (63-69). within 5.0Å range: probe atom residue distance (Å) B Occ A:I5 b:15.5 occ:1.00 I A:PHI5 0.0 15.5 1.0 CZ A:PHI5 2.1 23.4 1.0 CE1 A:PHI5 3.0 21.3 1.0 HE1 A:PHI5 3.1 25.6 1.0 CE2 A:PHI5 3.1 25.6 1.0 HE2 A:PHI5 3.2 30.7 1.0 CD1 A:PHI5 4.3 17.8 1.0 CD2 A:PHI5 4.4 26.1 1.0 HD21 A:LEU3 4.7 38.2 0.5 CG A:PHI5 4.9 23.9 1.0

R.K.Spencer, A.G.Kreutzer, P.J.Salveson, H.Li, J.S.Nowick. X-Ray Crystallographic Structures of Oligomers of Peptides Derived From Beta 2-Microglobulin. J.Am.Chem.Soc. 2015.
ISSN: ESSN 1520-5126
PubMed: 25915729
DOI: 10.1021/JACS.5B01673