Chlorine in PDB 4d0r: Mtb Inha Complex with Pyradizinone Compound 1

All present enzymatic activity of Mtb Inha Complex with Pyradizinone Compound 1:
1.3.1.9;

The structure of Mtb Inha Complex with Pyradizinone Compound 1, PDB code: 4d0r was solved by J.A.Read, H.Gingell, P.Madhavapeddi, S.Lange, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.00 / 2.75
Space group	P 62 2 2
Cell size a, b, c (Å), α, β, γ (°)	96.997, 96.997, 139.137, 90.00, 90.00, 120.00
R / Rfree (%)	21.67 / 24.15

The binding sites of Chlorine atom in the Mtb Inha Complex with Pyradizinone Compound 1 (pdb code 4d0r). 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 Mtb Inha Complex with Pyradizinone Compound 1, PDB code: 4d0r:

Chlorine binding site 1 out of 1 in the Mtb Inha Complex with Pyradizinone Compound 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Mtb Inha Complex with Pyradizinone Compound 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1271 b:76.7 occ:1.00 CL A:41I1271 0.0 76.7 1.0 C14 A:41I1271 1.7 71.8 1.0 C15 A:41I1271 2.7 69.7 1.0 C13 A:41I1271 2.7 70.1 1.0 CH2 A:TRP222 3.3 40.5 1.0 O A:ASP150 3.5 40.2 1.0 CZ3 A:TRP222 3.5 40.5 1.0 CD1 A:PHE149 3.6 48.4 1.0 SD A:MET155 3.8 57.7 1.0 O A:HOH2006 3.9 38.7 1.0 C16 A:41I1271 4.0 70.1 1.0 C12 A:41I1271 4.0 69.7 1.0 CE A:MET155 4.0 53.5 1.0 N A:ASP150 4.1 38.7 1.0 CB A:PHE149 4.2 42.3 1.0 CG A:PHE149 4.2 45.0 1.0 C A:ASP150 4.4 40.5 1.0 CE1 A:PHE149 4.4 49.7 1.0 C11 A:41I1271 4.5 70.2 1.0 CA A:ASP150 4.5 37.5 1.0 CB A:ASP150 4.6 39.1 1.0 CZ2 A:TRP222 4.6 40.4 1.0 C A:PHE149 4.6 42.7 1.0 O A:HOH2007 4.9 35.3 1.0 CA A:PHE149 4.9 39.4 1.0 CE3 A:TRP222 4.9 40.2 1.0 CD1 A:LEU218 4.9 56.8 1.0 O A:HOH2016 4.9 64.0 1.0

S.Lange, J.A.Read, H.Gingell, P.Madhavapeddi, S.Lange. N/A N/A.