Fluorine in PDB 4n8q: Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase

All present enzymatic activity of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase:
2.4.2.18;

The structure of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase, PDB code: 4n8q was solved by A.Castell, T.V.M.Cookson, E.Bulloch, G.L.Evans, E.N.Baker, J.S.Lott, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	72.52 / 2.08
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	79.587, 90.998, 120.039, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 23.4

The binding sites of Fluorine atom in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase (pdb code 4n8q). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase, PDB code: 4n8q:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:55.1 occ:1.00 FAH A:FA0601 0.0 55.1 1.0 CAG A:FA0601 1.4 53.9 1.0 CAI A:FA0601 2.4 52.6 1.0 CAF A:FA0601 2.4 52.9 1.0 CB A:ALA179 3.2 32.9 1.0 CD2 A:TYR186 3.5 27.7 1.0 CAJ A:FA0601 3.7 52.7 1.0 CAE A:FA0601 3.7 52.5 1.0 CE2 A:TYR186 4.0 28.0 1.0 CAD A:FA0601 4.2 52.4 1.0 C A:ALA179 4.2 33.0 1.0 CA A:ALA179 4.2 32.3 1.0 CG A:TYR186 4.2 28.1 1.0 CB A:HIS183 4.3 25.7 1.0 O A:ALA179 4.3 33.1 1.0 ND1 A:HIS183 4.4 29.5 1.0 CE A:MET86 4.5 33.7 1.0 CB A:TYR186 4.6 26.9 1.0 N A:PRO180 4.6 34.0 1.0 CG A:HIS183 4.7 25.6 1.0 NAK A:FA0601 4.7 52.2 1.0 ND2 A:ASN138 4.8 44.6 1.0 CZ A:TYR186 5.0 28.2 1.0

Fluorine binding site 2 out of 2 in the Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Alternative Substrates of Mycobacterium Tuberculosis Anthranilate Phosphoribosyl Transferase within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:43.5 occ:1.00 FAH B:FA0601 0.0 43.5 1.0 CAG B:FA0601 1.4 40.5 1.0 CAF B:FA0601 2.4 39.1 1.0 CAI B:FA0601 2.4 37.7 1.0 O B:HOH834 2.9 42.5 1.0 CB B:ALA179 3.3 26.1 1.0 CD2 B:TYR186 3.6 27.9 1.0 CAE B:FA0601 3.6 38.8 1.0 CAJ B:FA0601 3.7 39.4 1.0 CAD B:FA0601 4.2 39.1 1.0 CB B:HIS183 4.2 19.7 1.0 CE2 B:TYR186 4.2 24.6 1.0 C B:ALA179 4.2 27.0 1.0 O B:SER143 4.2 62.1 1.0 CG B:TYR186 4.2 23.7 1.0 CA B:ALA179 4.3 26.0 1.0 O B:ALA179 4.3 27.9 1.0 CB B:TYR186 4.4 24.7 1.0 CE B:MET86 4.5 27.2 1.0 ND1 B:HIS183 4.5 22.7 1.0 C B:SER143 4.6 62.2 1.0 CG B:HIS183 4.6 21.9 1.0 N B:PRO180 4.6 27.4 1.0 NAK B:FA0601 4.7 37.1 1.0 O B:HIS183 4.9 22.3 1.0 N B:LEU144 5.0 62.7 1.0 CB B:SER143 5.0 61.7 1.0

T.V.Cookson, A.Castell, E.M.Bulloch, G.L.Evans, F.L.Short, E.N.Baker, J.S.Lott, E.J.Parker. Alternative Substrates Reveal Catalytic Cycle and Key Binding Events in the Reaction Catalysed By Anthranilate Phosphoribosyltransferase From Mycobacterium Tuberculosis. Biochem.J. V. 461 87 2014.
ISSN: ISSN 0264-6021
PubMed: 24712732
DOI: 10.1042/BJ20140209