Iodine in PDB 7l3e: T4 Lysozyme L99A - 3-Iodotoluene - Cryo

All present enzymatic activity of T4 Lysozyme L99A - 3-Iodotoluene - Cryo:
3.2.1.17;

The structure of T4 Lysozyme L99A - 3-Iodotoluene - Cryo, PDB code: 7l3e was solved by M.Fischer, S.Y.C.Bradford, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	52.10 / 1.13
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.162, 60.162, 96.296, 90, 90, 120
R / Rfree (%)	14.8 / 15.3

The structure of T4 Lysozyme L99A - 3-Iodotoluene - Cryo also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the T4 Lysozyme L99A - 3-Iodotoluene - Cryo (pdb code 7l3e). 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 T4 Lysozyme L99A - 3-Iodotoluene - Cryo, PDB code: 7l3e:

Iodine binding site 1 out of 1 in the T4 Lysozyme L99A - 3-Iodotoluene - Cryo


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of T4 Lysozyme L99A - 3-Iodotoluene - Cryo within 5.0Å range: probe atom residue distance (Å) B Occ A:I204 b:14.2 occ:0.60 I07 A:XQJ204 0.0 14.2 0.6 C06 A:XQJ204 2.1 14.8 0.6 C05 A:XQJ204 3.0 16.3 0.6 C08 A:XQJ204 3.0 16.4 0.6 O A:LEU84 3.6 12.4 1.0 N A:TYR88 3.7 10.4 1.0 CB A:ALA99 3.9 10.0 1.0 CA A:TYR88 4.0 10.5 1.0 CB A:TYR88 4.0 11.0 1.0 CB A:VAL87 4.0 13.0 1.0 CG1 A:VAL87 4.0 14.1 1.0 CD2 A:LEU118 4.1 17.8 1.0 CD2 A:LEU84 4.3 16.4 1.0 C A:VAL87 4.3 10.5 1.0 C04 A:XQJ204 4.3 18.5 0.6 CB A:LEU84 4.4 13.2 1.0 C02 A:XQJ204 4.4 18.4 0.6 C A:LEU84 4.4 11.8 1.0 CA A:LEU84 4.4 12.4 1.0 CD1 A:TYR88 4.6 11.4 1.0 CA A:VAL87 4.7 11.4 1.0 CD1 A:LEU91 4.8 12.0 1.0 CG A:TYR88 4.8 11.2 1.0 C03 A:XQJ204 4.9 19.1 0.6 CG2 A:ILE78 4.9 11.5 1.0 CG A:LEU84 4.9 14.3 1.0

S.Y.C.Bradford, L.El Khoury, Y.Ge, M.Osato, D.L.Mobley, M.Fischer. Temperature Artifacts in Protein Structures Bias Ligand-Binding Predictions. Chem Sci V. 12 11275 2021.
ISSN: ISSN 2041-6520
PubMed: 34667539
DOI: 10.1039/D1SC02751D