Chlorine in PDB 7l3b: T4 Lysozyme L99A - Iodobenzene - Rt

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

The structure of T4 Lysozyme L99A - Iodobenzene - Rt, PDB code: 7l3b 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)	35.84 / 1.27
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.75, 60.75, 97.921, 90, 90, 120
R / Rfree (%)	14.9 / 16.7

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

Iodine

(I)

2 atoms

The binding sites of Chlorine atom in the T4 Lysozyme L99A - Iodobenzene - Rt (pdb code 7l3b). 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 - Iodobenzene - Rt, PDB code: 7l3b:

Chlorine binding site 1 out of 1 in the T4 Lysozyme L99A - Iodobenzene - 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 - Iodobenzene - Rt within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:18.4 occ:1.00 N A:ASN144 3.3 12.4 1.0 N A:ARG145 3.4 13.5 1.0 C A:THR142 3.5 12.1 1.0 CA A:THR142 3.6 12.9 1.0 CB A:ASN144 3.7 16.1 1.0 N A:PRO143 3.7 12.4 1.0 CB A:THR142 3.7 13.6 1.0 O A:THR142 3.8 12.7 1.0 CA A:ASN144 3.8 13.2 1.0 CB A:ARG145 4.1 15.4 1.0 C A:ASN144 4.1 13.5 1.0 CD A:PRO143 4.1 14.7 1.0 C A:PRO143 4.3 11.8 1.0 CA A:ARG145 4.3 14.1 1.0 CG2 A:THR142 4.4 16.1 1.0 CA A:PRO143 4.6 12.6 1.0 CG A:ASN144 4.6 20.1 1.0 ND2 A:ASN144 4.7 22.6 1.0 CG A:PRO143 4.8 15.5 1.0 N A:THR142 4.9 12.5 1.0 OG1 A:THR142 5.0 15.4 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