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Fluorine in PDB 4owm: Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium

Enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium

All present enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium:
2.4.2.18;

Protein crystallography data

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owm was solved by A.Castell, T.V.M.Cookson, F.L.Short, J.S.Lott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.21 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.274, 91.990, 120.892, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21.3

Other elements in 4owm:

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium (pdb code 4owm). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owm:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 4owm

Go back to Fluorine Binding Sites List in 4owm
Fluorine binding site 1 out of 2 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:41.7
occ:1.00
 FAD A:3F0404 0.0 41.7 1.0
CAJ A:3F0404 1.5 42.2 1.0
CAI A:3F0404 2.4 42.3 1.0
CAF A:3F0404 2.5 40.5 1.0
NAA A:3F0404 2.7 41.8 1.0
CD2 A:TYR186 3.5 19.9 1.0
CB A:ALA179 3.6 24.2 1.0
CAK A:3F0404 3.8 45.0 1.0
CAE A:3F0404 3.8 41.6 1.0
CE2 A:TYR186 4.0 19.1 1.0
C A:ALA179 4.0 25.0 1.0
ND2 A:ASN138 4.1 32.4 1.0
N A:PRO180 4.1 26.3 1.0
CD A:PRO180 4.2 27.8 1.0
O A:ALA179 4.3 24.8 1.0
CAG A:3F0404 4.3 45.4 1.0
CA A:ALA179 4.4 24.7 1.0
CA A:PRO180 4.5 27.0 1.0
CG A:TYR186 4.5 19.1 1.0
CG A:PRO180 4.5 28.0 1.0
CB A:TYR186 4.8 18.7 1.0
CB A:HIS183 4.9 17.6 1.0
CAH A:3F0404 4.9 47.8 1.0
CB A:ALA190 4.9 21.8 1.0
OAB A:3F0404 5.0 49.1 1.0
CG A:ASN138 5.0 32.4 1.0

Fluorine binding site 2 out of 2 in 4owm

Go back to Fluorine Binding Sites List in 4owm
Fluorine binding site 2 out of 2 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:47.3
occ:1.00
 FAD B:3F0404 0.0 47.3 1.0
CAJ B:3F0404 1.4 42.6 1.0
CAI B:3F0404 2.4 43.1 1.0
CAF B:3F0404 2.4 41.0 1.0
O B:HOH706 2.6 56.8 1.0
NAA B:3F0404 2.7 43.3 1.0
CB B:ALA179 3.5 25.4 1.0
ND2 B:ASN138 3.6 36.4 1.0
CAE B:3F0404 3.7 38.6 1.0
CAK B:3F0404 3.7 42.1 1.0
CD2 B:TYR186 3.9 19.5 1.0
CAG B:3F0404 4.2 41.9 1.0
CE2 B:TYR186 4.2 20.8 1.0
C B:ALA179 4.3 24.9 1.0
N B:PRO180 4.3 27.5 1.0
CA B:ALA179 4.5 23.9 1.0
CD B:PRO180 4.5 28.5 1.0
O B:ALA179 4.7 24.0 1.0
CG B:ASN138 4.8 35.2 1.0
CG B:PRO180 4.8 28.4 1.0
CA B:PRO180 4.9 27.4 1.0
CG B:TYR186 4.9 18.5 1.0
CAH B:3F0404 4.9 45.9 1.0

Reference:

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: ESSN 1470-8728
PubMed: 24712732
DOI: 10.1042/BJ20140209
Page generated: Thu Aug 1 04:42:35 2024

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