Chlorine in PDB 3zhz: 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: 3zhz 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)	81.24 / 2.25
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.040, 67.800, 85.430, 90.00, 108.02, 90.00
R / Rfree (%)	20.028 / 24.821

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

Fluorine

(F)

3 atoms

The binding sites of Chlorine atom in the Structure of Mycobacterium Tuberculosis Dxr in Complex with A Fosmidomycin Analogue (pdb code 3zhz). 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: 3zhz:
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:Cl1390 b:30.5 occ:1.00 CL2 A:FM71390 0.0 30.5 1.0 C9 A:FM71390 1.8 30.5 1.0 C10 A:FM71390 2.7 28.9 1.0 C8 A:FM71390 2.7 30.9 1.0 CL1 A:FM71390 3.1 34.2 1.0 C11 A:FM71390 4.0 27.7 1.0 C7 A:FM71390 4.1 29.5 1.0 C6 A:FM71390 4.5 29.0 1.0 C15 A:FM71390 4.8 34.1 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:Cl1390 b:34.2 occ:1.00 CL1 A:FM71390 0.0 34.2 1.0 C8 A:FM71390 1.8 30.9 1.0 C9 A:FM71390 2.7 30.5 1.0 C7 A:FM71390 2.8 29.5 1.0 CL2 A:FM71390 3.1 30.5 1.0 C22 A:FM71390 3.6 40.1 1.0 CB A:SER213 3.9 21.4 1.0 C23 A:FM71390 3.9 38.0 1.0 CG2 A:THR210 3.9 30.6 1.0 OG A:SER213 4.0 22.3 1.0 C10 A:FM71390 4.0 28.9 1.0 CA A:THR210 4.0 31.3 1.0 C6 A:FM71390 4.1 29.0 1.0 CB A:THR210 4.4 31.8 1.0 OG1 A:THR210 4.5 34.4 1.0 O A:ASN209 4.5 34.0 1.0 C11 A:FM71390 4.5 27.7 1.0 O A:THR210 4.8 29.8 1.0 N A:THR210 4.8 32.5 1.0 C21 A:FM71390 4.8 41.6 1.0 C A:THR210 4.9 30.2 1.0 C A:ASN209 5.0 33.9 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