Fluorine in PDB 4ube: Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine

All present enzymatic activity of Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine:
2.7.1.20;

The structure of Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine, PDB code: 4ube was solved by M.C.M.Reddy, S.K.Palaninathan, N.D.Shetty, J.L.Owen, M.D.Watson, J.C.Sacchettini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.83 / 1.93
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	71.916, 71.916, 110.521, 90.00, 90.00, 120.00
R / Rfree (%)	19.8 / 24.3

The binding sites of Fluorine atom in the Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine (pdb code 4ube). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine, PDB code: 4ube:

Fluorine binding site 1 out of 1 in the Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine within 5.0Å range: probe atom residue distance (Å) B Occ A:F401 b:22.6 occ:1.00 F A:2FA401 0.0 22.6 1.0 C2 A:2FA401 1.4 21.1 1.0 N1 A:2FA401 2.3 22.1 1.0 N3 A:2FA401 2.3 21.7 1.0 CB A:SER8 3.1 16.9 1.0 OG A:SER8 3.1 17.4 1.0 O A:ALA146 3.2 18.4 1.0 C A:ALA146 3.2 19.5 1.0 SD A:MET121 3.4 19.5 1.0 N A:ASN147 3.4 19.4 1.0 CB A:ALA146 3.5 21.3 1.0 NE2 A:GLN173 3.5 23.0 1.0 C6 A:2FA401 3.5 23.6 1.0 C4 A:2FA401 3.6 19.6 1.0 CE A:MET121 3.6 19.7 1.0 CA A:ASN147 3.7 21.3 1.0 CA A:ALA146 4.0 20.8 1.0 C5 A:2FA401 4.0 23.0 1.0 CE2 A:PHE116 4.1 20.1 1.0 CZ A:PHE116 4.1 19.2 1.0 C A:ASN147 4.2 19.6 1.0 O A:ASN147 4.3 19.6 1.0 CA A:SER8 4.3 18.9 1.0 N A:SER8 4.4 19.5 1.0 CD2 A:PHE116 4.5 19.9 1.0 CE1 A:PHE116 4.6 21.4 1.0 CD A:GLN173 4.6 24.9 1.0 N6 A:2FA401 4.7 23.1 1.0 N9 A:2FA401 4.8 20.5 1.0 CG A:PHE116 4.9 20.8 1.0 CD1 A:PHE116 4.9 21.4 1.0

M.C.M.Reddy, S.K.Palaninathan, N.D.Shetty, J.L.Owen, M.D.Watson, J.C.Sacchettini. Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2-Fluro Adenosine To Be Published.