Iodine in PDB 6cg3: Macrocyclic Peptide Derived From Abeta(17-36) - (Orn)Lv(Phi)Faed(Orn) Aii(2-Nitrobenzylglycine)L(Orn)V

The structure of Macrocyclic Peptide Derived From Abeta(17-36) - (Orn)Lv(Phi)Faed(Orn) Aii(2-Nitrobenzylglycine)L(Orn)V, PDB code: 6cg3 was solved by 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)	19.39 / 2.03
Space group	P 42 3 2
Cell size a, b, c (Å), α, β, γ (°)	47.504, 47.504, 47.504, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 25.5

The binding sites of Iodine atom in the Macrocyclic Peptide Derived From Abeta(17-36) - (Orn)Lv(Phi)Faed(Orn) Aii(2-Nitrobenzylglycine)L(Orn)V (pdb code 6cg3). 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 Macrocyclic Peptide Derived From Abeta(17-36) - (Orn)Lv(Phi)Faed(Orn) Aii(2-Nitrobenzylglycine)L(Orn)V, PDB code: 6cg3:

Iodine binding site 1 out of 1 in the Macrocyclic Peptide Derived From Abeta(17-36) - (Orn)Lv(Phi)Faed(Orn) Aii(2-Nitrobenzylglycine)L(Orn)V


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Macrocyclic Peptide Derived From Abeta(17-36) - (Orn)Lv(Phi)Faed(Orn) Aii(2-Nitrobenzylglycine)L(Orn)V within 5.0Å range: probe atom residue distance (Å) B Occ A:I4 b:33.0 occ:1.00 I A:PHI4 0.0 33.0 1.0 CZ A:PHI4 2.1 27.3 1.0 CE1 A:PHI4 3.1 27.5 1.0 CE2 A:PHI4 3.1 29.4 1.0 HE1 A:PHI4 3.1 33.0 1.0 HD12 A:LEU2 3.1 38.9 1.0 HE2 A:PHI4 3.1 35.3 1.0 HD13 A:LEU2 3.5 38.9 1.0 CD1 A:LEU2 3.7 32.3 1.0 HD11 A:LEU2 4.2 38.9 1.0 CD1 A:PHI4 4.3 26.6 1.0 CD2 A:PHI4 4.4 36.4 1.0 HB2 A:LEU2 4.5 30.5 1.0 HB3 A:LEU2 4.8 30.5 1.0 CG A:PHI4 4.9 30.4 1.0

P.J.Salveson, S.Haerianardakani, A.Thuy-Boun, A.G.Kreutzer, J.S.Nowick. Controlling the Oligomerization State of A Beta-Derived Peptides with Light. J. Am. Chem. Soc. V. 140 5842 2018.
ISSN: ESSN 1520-5126
PubMed: 29627987
DOI: 10.1021/JACS.8B02658