Iodine in PDB 7lib: X-Ray Crystal Structure of A Cyclic Peptide Containing Beta-2- Microglobulin (63-69) and A Gamma-Methylornithine Turn Unit

The structure of X-Ray Crystal Structure of A Cyclic Peptide Containing Beta-2- Microglobulin (63-69) and A Gamma-Methylornithine Turn Unit, PDB code: 7lib was solved by M.Wierzbicki, J.S.Nowick, X.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.28 / 1.10
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	38.574, 38.574, 34.925, 90, 90, 90
R / Rfree (%)	17.8 / 20.8

The binding sites of Iodine atom in the X-Ray Crystal Structure of A Cyclic Peptide Containing Beta-2- Microglobulin (63-69) and A Gamma-Methylornithine Turn Unit (pdb code 7lib). 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 X-Ray Crystal Structure of A Cyclic Peptide Containing Beta-2- Microglobulin (63-69) and A Gamma-Methylornithine Turn Unit, PDB code: 7lib:

Iodine binding site 1 out of 1 in the X-Ray Crystal Structure of A Cyclic Peptide Containing Beta-2- Microglobulin (63-69) and A Gamma-Methylornithine Turn Unit


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of X-Ray Crystal Structure of A Cyclic Peptide Containing Beta-2- Microglobulin (63-69) and A Gamma-Methylornithine Turn Unit within 5.0Å range: probe atom residue distance (Å) B Occ A:I5 b:13.7 occ:1.00 I A:PHI5 0.0 13.7 1.0 CZ A:PHI5 2.0 12.8 1.0 CE2 A:PHI5 3.0 8.8 1.0 CE1 A:PHI5 3.0 10.6 1.0 HE2 A:PHI5 3.1 10.6 1.0 HE1 A:PHI5 3.1 12.7 1.0 HD12 A:LEU3 3.3 18.5 0.6 HD22 A:LEU3 3.4 17.3 0.4 HD23 A:LEU3 3.5 17.3 0.4 HD13 A:LEU3 3.7 18.5 0.6 CD2 A:LEU3 3.9 14.4 0.4 CD1 A:LEU3 4.0 15.4 0.6 HG23 A:MVA13 4.3 13.4 1.0 CD2 A:PHI5 4.3 10.2 1.0 CD1 A:PHI5 4.4 10.2 1.0 HB3 A:LEU3 4.4 11.6 0.4 HD21 A:LEU3 4.4 17.3 0.4 HB3 A:LEU3 4.5 11.5 0.6 HD11 A:LEU3 4.5 18.5 0.6 HB2 A:LEU3 4.7 11.5 0.6 HG21 A:MVA13 4.8 13.4 1.0 HB2 A:LEU3 4.8 11.6 0.4 CG A:PHI5 4.9 8.4 1.0 CB A:LEU3 4.9 9.6 0.6 CB A:LEU3 5.0 9.6 0.4 CG2 A:MVA13 5.0 11.2 1.0

J.S.Nowick, X.Li, A.L.Sabol, M.Wierzbicki, P.J.Salveson. An Improved Turn Structure For Inducing Beta-Hairpin Formation in Peptides. Angew.Chem.Int.Ed.Engl. 2021.
ISSN: ESSN 1521-3773
PubMed: 34258835
DOI: 10.1002/ANIE.202105559