Chlorine in PDB 3zhx: Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue

All present enzymatic activity of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue:
1.1.1.267;

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zhx was solved by C.Bjorkelid, A.M.Jansson, T.Bergfors, T.Unge, S.L.Mowbray, T.A.Jones, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.51 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	69.710, 66.990, 84.610, 90.00, 107.90, 90.00
R / Rfree (%)	18.394 / 23.043

The structure of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue (pdb code 3zhx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue, PDB code: 3zhx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:43.4 occ:1.00 CL1 A:FM6501 0.0 43.4 1.0 C8 A:FM6501 1.7 36.6 1.0 C7 A:FM6501 2.7 33.4 1.0 C9 A:FM6501 2.8 37.1 1.0 CL2 A:FM6501 3.3 36.5 1.0 O A:HOH2124 3.6 21.8 1.0 C6 A:FM6501 4.0 32.3 1.0 C10 A:FM6501 4.1 35.6 1.0 C11 A:FM6501 4.5 35.0 1.0 CB A:SER177 4.6 15.9 1.0 OG A:SER177 4.8 17.1 1.0 OG A:SER245 4.8 14.9 1.0

Chlorine binding site 2 out of 2 in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:36.5 occ:1.00 CL2 A:FM6501 0.0 36.5 1.0 C9 A:FM6501 1.7 37.1 1.0 C10 A:FM6501 2.7 35.6 1.0 C8 A:FM6501 2.8 36.6 1.0 CL1 A:FM6501 3.3 43.4 1.0 CB A:SER245 3.5 15.3 1.0 CB A:PRO265 3.7 17.0 1.0 OG A:SER245 3.7 14.9 1.0 CG A:PRO265 3.8 16.8 1.0 O A:HOH2124 3.9 21.8 1.0 C11 A:FM6501 4.0 35.0 1.0 C7 A:FM6501 4.0 33.4 1.0 C14 A:FM6501 4.4 30.6 1.0 C6 A:FM6501 4.5 32.3 1.0 O A:SER245 4.8 15.6 1.0 C15 A:FM6501 4.8 32.3 1.0 C13 A:FM6501 4.8 30.7 1.0 CA A:SER245 4.9 15.5 1.0

A.M.Jansson, A.Wieckowska, C.Bjorkelid, S.Yahiaoui, S.Sooriyaarachchi, M.Lindh, T.Bergfors, S.Dharavath, M.Desroses, S.Suresh, M.Andaloussi, R.Nikhil, S.Sreevalli, B.R.Srinivasa, M.Larhed, T.A.Jones, A.Karlen, S.L.Mowbray. Dxr Inhibition By Potent Mono- and Disubstituted Fosmidomycin Analogues. J.Med.Chem. V. 56 6190 2013.
ISSN: ISSN 0022-2623
PubMed: 23819803
DOI: 10.1021/JM4006498