Chlorine in PDB 5jww: T4 Lysozyme L99A/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound

All present enzymatic activity of T4 Lysozyme L99A/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound:
3.2.1.17;

The structure of T4 Lysozyme L99A/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound, PDB code: 5jww was solved by H.Lee, M.Fischer, B.K.Shoichet, S.-Y.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.96 / 1.47
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	60.163, 60.163, 97.087, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 24.9

The binding sites of Chlorine atom in the T4 Lysozyme L99A/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound (pdb code 5jww). 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/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound, PDB code: 5jww:

Chlorine binding site 1 out of 1 in the T4 Lysozyme L99A/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound


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/M102Q with 1-Hydro-2-Ethyl-1,2-Azaborine Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:19.4 occ:0.66 O A:HOH429 3.0 24.4 1.0 C A:LYS135 3.7 14.7 1.0 CA A:LYS135 3.9 15.6 1.0 N A:SER136 3.9 13.3 1.0 O A:LYS135 4.0 15.7 1.0 CB A:LYS135 4.1 15.0 1.0 O A:HOH352 4.3 28.5 1.0 ND2 A:ASN140 4.4 16.7 1.0 CA A:SER136 4.7 13.2 1.0 CG A:LYS135 4.9 16.6 1.0

H.Lee, M.Fischer, B.K.Shoichet, S.Y.Liu. Hydrogen Bonding of 1,2-Azaborines in the Binding Cavity of T4 Lysozyme Mutants: Structures and Thermodynamics. J.Am.Chem.Soc. V. 138 12021 2016.
ISSN: ESSN 1520-5126
PubMed: 27603116
DOI: 10.1021/JACS.6B06566