Chlorine in PDB 4i7o: T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound

All present enzymatic activity of T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound:
3.2.1.17;

The structure of T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound, PDB code: 4i7o was solved by M.Merski, B.K.Shoichet, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.24 / 1.73
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	48.320, 75.340, 52.760, 90.00, 93.22, 90.00
R / Rfree (%)	16.8 / 19.4

The binding sites of Chlorine atom in the T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound (pdb code 4i7o). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound, PDB code: 4i7o:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole 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/M102H with 2-Amino-5-Chlorothiazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:24.6 occ:0.80 CLG A:1DH202 0.0 24.6 0.8 CAG A:1DH202 1.7 20.6 0.8 CAC A:1DH202 2.7 15.0 0.8 SAE A:1DH202 3.0 21.5 0.8 O A:LEU84 3.3 7.8 1.0 N A:TYR88 3.7 8.1 1.0 CB A:TYR88 3.8 8.6 1.0 NAD A:1DH202 3.9 13.3 0.8 CA A:TYR88 3.9 7.3 1.0 CB A:LEU84 4.0 10.6 1.0 CB A:ALA99 4.0 6.0 1.0 C A:LEU84 4.1 9.7 1.0 CB A:VAL87 4.1 8.3 1.0 CAF A:1DH202 4.1 13.1 0.8 CA A:LEU84 4.2 9.0 1.0 CD2 A:LEU84 4.2 11.6 1.0 CG2 A:ILE78 4.2 10.1 1.0 CG1 A:VAL87 4.2 6.8 1.0 C A:VAL87 4.4 7.7 1.0 CD1 A:TYR88 4.5 6.9 1.0 CG A:LEU84 4.6 9.7 1.0 CG A:TYR88 4.7 7.1 1.0 CD1 A:ILE78 4.7 7.8 1.0 CG1 A:ILE78 4.7 4.7 1.0 CA A:VAL87 4.8 7.5 1.0 CD2 A:LEU118 4.9 11.9 1.0 CD1 A:LEU84 5.0 8.9 1.0

Chlorine binding site 2 out of 2 in the T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of T4 Lysozyme L99A/M102H with 2-Amino-5-Chlorothiazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:24.0 occ:0.80 CLG B:1DH203 0.0 24.0 0.8 CAG B:1DH203 1.7 18.9 0.8 CAC B:1DH203 2.7 16.1 0.8 SAE B:1DH203 3.0 21.6 0.8 O B:LEU84 3.4 8.8 1.0 N B:TYR88 3.6 8.0 1.0 CB B:TYR88 3.7 7.6 1.0 CA B:TYR88 3.9 8.6 1.0 NAD B:1DH203 3.9 14.4 0.8 CB B:ALA99 4.0 5.0 1.0 CB B:LEU84 4.0 6.4 1.0 C B:LEU84 4.1 8.7 1.0 CAF B:1DH203 4.1 15.2 0.8 CA B:LEU84 4.2 7.1 1.0 CD2 B:LEU84 4.2 8.8 1.0 CB B:VAL87 4.2 10.9 1.0 CG2 B:ILE78 4.3 8.9 1.0 CG1 B:VAL87 4.3 12.2 1.0 CD1 B:TYR88 4.4 6.8 1.0 C B:VAL87 4.4 7.7 1.0 CG B:TYR88 4.6 6.6 1.0 CG B:LEU84 4.6 8.4 1.0 CD1 B:ILE78 4.7 5.4 1.0 CG1 B:ILE78 4.7 4.7 1.0 CD2 B:LEU118 4.8 14.7 1.0 CA B:VAL87 4.9 9.2 1.0 CD1 B:LEU91 4.9 7.8 1.0

M.Merski, B.K.Shoichet. The Impact of Introducing A Histidine Into An Apolar Cavity Site on Docking and Ligand Recognition. J.Med.Chem. V. 56 2874 2013.
ISSN: ISSN 0022-2623
PubMed: 23473072
DOI: 10.1021/JM301823G