Iodine in PDB 7l3d: T4 Lysozyme L99A - 3-Iodotoluene - Rt

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

The structure of T4 Lysozyme L99A - 3-Iodotoluene - Rt, PDB code: 7l3d 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)	46.55 / 1.35
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.13, 61.13, 97.749, 90, 90, 120
R / Rfree (%)	14.4 / 16.2

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

Chlorine

(Cl)

1 atom

The binding sites of Iodine atom in the T4 Lysozyme L99A - 3-Iodotoluene - Rt (pdb code 7l3d). 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 - Rt, PDB code: 7l3d:

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


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 - Rt within 5.0Å range: probe atom residue distance (Å) B Occ A:I205 b:23.5 occ:0.58 I07 A:XQJ205 0.0 23.5 0.6 C06 A:XQJ205 2.1 21.1 0.6 C05 A:XQJ205 3.0 22.4 0.6 C08 A:XQJ205 3.1 21.0 0.6 O A:LEU84 3.6 17.1 1.0 N A:TYR88 3.7 14.3 1.0 CB A:VAL87 3.9 18.0 1.0 CG1 A:VAL87 4.0 20.7 1.0 CB A:ALA99 4.0 14.3 1.0 CA A:TYR88 4.1 14.3 1.0 CD2 A:LEU118 4.1 29.6 1.0 CB A:TYR88 4.1 15.0 1.0 C A:VAL87 4.3 13.7 1.0 CD2 A:LEU84 4.3 23.1 1.0 C04 A:XQJ205 4.4 23.5 0.6 C02 A:XQJ205 4.4 21.7 0.6 CB A:LEU84 4.4 17.3 1.0 C A:LEU84 4.4 16.2 1.0 CA A:LEU84 4.4 17.0 1.0 CA A:VAL87 4.7 16.1 1.0 CD1 A:TYR88 4.8 16.7 1.0 CD1 A:LEU91 4.8 16.2 1.0 C03 A:XQJ205 4.9 22.2 0.6 CG A:LEU84 4.9 19.6 1.0 CG A:TYR88 5.0 14.6 1.0 CG2 A:ILE78 5.0 17.1 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