Chlorine in PDB 7l3f: T4 Lysozyme L99A - 4-Iodotoluene - Rt

All present enzymatic activity of T4 Lysozyme L99A - 4-Iodotoluene - Rt:
3.2.1.17;

The structure of T4 Lysozyme L99A - 4-Iodotoluene - Rt, PDB code: 7l3f 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)	35.93 / 1.49
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.129, 61.129, 97.868, 90, 90, 120
R / Rfree (%)	14.8 / 17

The structure of T4 Lysozyme L99A - 4-Iodotoluene - Rt also contains other interesting chemical elements:

Iodine

(I)

2 atoms

The binding sites of Chlorine atom in the T4 Lysozyme L99A - 4-Iodotoluene - Rt (pdb code 7l3f). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the T4 Lysozyme L99A - 4-Iodotoluene - Rt, PDB code: 7l3f:

Chlorine binding site 1 out of 1 in the T4 Lysozyme L99A - 4-Iodotoluene - Rt


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of T4 Lysozyme L99A - 4-Iodotoluene - Rt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.4 occ:1.00 O A:HOH391 3.2 57.7 1.0 N A:ASN144 3.3 15.5 1.0 N A:ARG145 3.3 15.5 1.0 O A:HOH380 3.3 44.5 1.0 C A:THR142 3.5 16.6 1.0 CA A:THR142 3.5 15.6 1.0 CB A:THR142 3.7 17.2 1.0 CB A:ASN144 3.7 18.5 1.0 N A:PRO143 3.7 15.1 1.0 O A:THR142 3.8 17.1 1.0 CA A:ASN144 3.9 16.4 1.0 CB A:ARG145 4.0 19.9 1.0 C A:ASN144 4.1 15.9 1.0 CD A:PRO143 4.2 17.7 1.0 C A:PRO143 4.3 16.4 1.0 CA A:ARG145 4.3 17.0 1.0 CG2 A:THR142 4.3 18.9 1.0 CA A:PRO143 4.6 15.4 1.0 CG A:ASN144 4.7 24.9 1.0 ND2 A:ASN144 4.8 26.8 1.0 OG1 A:THR142 4.9 20.0 1.0 CG A:PRO143 4.9 19.9 1.0 N A:THR142 4.9 16.1 1.0 O A:HOH306 5.0 39.5 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