Fluorine in PDB 2pkk: 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: 2pkk was solved by M.C.M.Reddy, S.K.Palaninathan, N.D.Shetty, J.L.Owen, M.D.Watson, J.C.Sacchettini, Tb Structural Genomics Consortium (Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.26 / 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 (%)	18.9 / 24

The binding sites of Fluorine atom in the Crystal Structure of M Tuberculosis Adenosine Kinase Complexed with 2- Fluro Adenosine (pdb code 2pkk). 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: 2pkk:

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:F501 b:22.4 occ:1.00 F A:2FA501 0.0 22.4 1.0 C2 A:2FA501 1.3 19.7 1.0 N3 A:2FA501 2.3 22.1 1.0 N1 A:2FA501 2.3 20.8 1.0 OG A:SER8 3.1 16.5 1.0 CB A:SER8 3.1 14.9 1.0 O A:ALA146 3.3 18.2 1.0 C A:ALA146 3.3 20.4 1.0 SD A:MET121 3.4 20.3 1.0 N A:ASN147 3.4 19.5 1.0 C4 A:2FA501 3.5 18.4 1.0 C6 A:2FA501 3.5 24.7 1.0 OE1 A:GLN173 3.5 27.8 1.0 CB A:ALA146 3.6 19.5 1.0 CE A:MET121 3.6 18.2 1.0 CA A:ASN147 3.8 21.9 1.0 CA A:ALA146 4.0 19.6 1.0 C5 A:2FA501 4.1 21.5 1.0 CE2 A:PHE116 4.1 18.4 1.0 CZ A:PHE116 4.1 17.7 1.0 C A:ASN147 4.3 18.5 1.0 O A:ASN147 4.3 21.1 1.0 CA A:SER8 4.3 19.9 1.0 N A:SER8 4.4 19.5 1.0 CD2 A:PHE116 4.5 19.3 1.0 CE1 A:PHE116 4.5 22.0 1.0 CD A:GLN173 4.6 26.4 1.0 N6 A:2FA501 4.6 21.5 1.0 N9 A:2FA501 4.8 20.5 1.0 CG A:PHE116 4.9 19.0 1.0 CD1 A:PHE116 4.9 21.0 1.0

M.C.M.Reddy, S.K.Palaninathan, N.D.Shetty, J.L.Owen, M.D.Watson, J.C.Sacchettini. High Resolution Crystal Structures of Mycobacterium Tuberculosis Adenosine Kinase: Insights Into the Mechanism and Specificity of This Novel Prokaryotic Enzyme J.Biol.Chem. V. 282 27334 2007.
ISSN: ISSN 0021-9258
PubMed: 17597075
DOI: 10.1074/JBC.M703290200