Chlorine 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:

Iodine

(I)

1 atom

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

Chlorine binding site 1 out of 1 in the T4 Lysozyme L99A - 3-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 - 3-Iodotoluene - Rt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:22.6 occ:1.00 O A:HOH398 3.1 40.5 1.0 O A:HOH388 3.3 43.1 1.0 N A:ASN144 3.3 13.6 1.0 N A:ARG145 3.3 14.2 1.0 C A:THR142 3.5 14.0 1.0 CA A:THR142 3.6 14.3 1.0 CB A:ASN144 3.7 18.2 1.0 CB A:THR142 3.7 15.4 1.0 N A:PRO143 3.7 14.2 1.0 O A:THR142 3.8 15.1 1.0 CA A:ASN144 3.8 15.3 1.0 CB A:ARG145 4.0 17.7 1.0 C A:ASN144 4.1 14.1 1.0 CD A:PRO143 4.2 15.8 1.0 C A:PRO143 4.3 13.8 1.0 CA A:ARG145 4.3 15.8 1.0 CG2 A:THR142 4.4 18.1 1.0 CA A:PRO143 4.6 14.8 1.0 CG A:ASN144 4.6 24.5 1.0 ND2 A:ASN144 4.8 25.1 1.0 CG A:PRO143 4.9 17.2 1.0 OG1 A:THR142 4.9 17.5 1.0 N A:THR142 5.0 14.6 1.0 O A:HOH382 5.0 44.7 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