Iodine in PDB 6xnl: GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16)

The structure of GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16), PDB code: 6xnl was solved by R.K.Rowe Hartje, R.S.Czarny, A.Ho, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.85 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	59.069, 34.848, 46.712, 90, 100.44, 90
R / Rfree (%)	22.2 / 32.1

The structure of GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16) also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Iodine atom in the GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16) (pdb code 6xnl). 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 GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16), PDB code: 6xnl:

Iodine binding site 1 out of 1 in the GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of GCN4-P1 Peptide Trimer with Iodo-Phenylalanine Residue at Position 16 (Ipf-F16) within 5.0Å range: probe atom residue distance (Å) B Occ A:I16 b:61.5 occ:0.27 I A:PHI16 0.0 61.5 0.3 CZ A:PHI16 2.1 63.1 1.0 CE2 A:PHI16 3.0 59.8 1.0 CE1 A:PHI16 3.1 62.7 1.0 O B:LEU12 3.1 36.0 1.0 N B:ALA16 3.4 35.5 1.0 CB B:LYS15 3.4 29.8 1.0 CB C:ALA16 3.6 39.7 1.0 C B:LYS15 3.7 28.8 1.0 CD2 B:LEU12 3.7 34.1 1.0 CG B:LYS15 3.7 38.8 1.0 CA B:ALA16 3.9 28.4 1.0 C B:LEU12 4.0 33.5 1.0 CB B:ALA16 4.0 40.7 1.0 CA B:LYS15 4.1 29.6 1.0 CA B:LEU12 4.2 25.6 1.0 O B:LYS15 4.3 35.4 1.0 CD2 A:PHI16 4.4 61.9 1.0 CE B:LYS15 4.4 57.7 1.0 CD1 A:PHI16 4.4 65.5 1.0 CB B:LEU12 4.5 35.3 1.0 CA C:ALA16 4.5 49.0 1.0 CD1 B:LEU19 4.6 34.7 1.0 CD B:LYS15 4.7 47.2 1.0 CG B:LEU12 4.7 41.1 1.0 N B:LYS15 4.8 40.6 1.0 CD2 A:LEU12 4.9 29.7 1.0 CG A:PHI16 4.9 68.7 1.0

R.K.Rowe Hartje, M.Ferrero, G.Cavallo, P.Metrangolo, A.Ho, R.Czarny, P.S.Ho. Engineering Specific Protein-Protein Interactions Through Halogen and Hydrogen Bonds To Be Published.