Iodine in PDB 4lyi: Crystal Structure of Apo-BRD4(1)

The structure of Crystal Structure of Apo-BRD4(1), PDB code: 4lyi was solved by D.Wohlwend, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.97 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	37.260, 44.090, 77.940, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 19.8

The structure of Crystal Structure of Apo-BRD4(1) also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Iodine atom in the Crystal Structure of Apo-BRD4(1) (pdb code 4lyi). 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 Crystal Structure of Apo-BRD4(1), PDB code: 4lyi:

Iodine binding site 1 out of 1 in the Crystal Structure of Apo-BRD4(1)


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Crystal Structure of Apo-BRD4(1) within 5.0Å range: probe atom residue distance (Å) B Occ A:I211 b:16.3 occ:0.70 CB A:PRO142 4.3 23.6 1.0 C1 A:EDO201 4.7 18.0 1.0

X.Lucas, D.Wohlwend, M.Hugle, K.Schmidtkunz, S.Gerhardt, R.Schule, M.Jung, O.Einsle, S.Gunther. 4-Acyl Pyrroles: Mimicking Acetylated Lysines in Histone Code Reading. Angew.Chem.Int.Ed.Engl. V. 52 14055 2013.
ISSN: ISSN 1433-7851
PubMed: 24272870
DOI: 10.1002/ANIE.201307652