Iodine in PDB 8cuf: Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure

The structure of Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure, PDB code: 8cuf was solved by A.G.Kreutzer, X.Li, M.Krumberger, J.S.Nowick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.00 / 1.68
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	12.103, 31.555, 36.961, 90, 90, 90
R / Rfree (%)	15.2 / 16.8

The binding sites of Iodine atom in the Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure (pdb code 8cuf). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total 2 binding sites of Iodine where determined in the Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure, PDB code: 8cuf:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in the Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:I102 b:20.9 occ:0.51 I A:IOD103 4.9 18.1 0.5

Iodine binding site 2 out of 2 in the Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 2 of Synthetic Epi-NOVO29 (2R,3S), X-Ray Diffractometer Structure within 5.0Å range: probe atom residue distance (Å) B Occ A:I103 b:18.1 occ:0.48 I A:IOD102 4.9 20.9 0.5

M.Krumberger, X.Li, A.G.Kreutzer, J.S.Nowick. Synthesis and Stereochemical Determination of NOVO29, A New Peptide Antibiotic J.Org.Chem. 2023.
ISSN: ISSN 0022-3263