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Fluorine in PDB 4own: Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium

Enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium

All present enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium:
2.4.2.18;

Protein crystallography data

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4own 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) 73.35 / 2.11
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.585, 92.313, 120.826, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.4

Other elements in 4own:

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-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 5-Fluoroanthranilate, Prpp and Magnesium (pdb code 4own). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4own:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4own

Go back to Fluorine Binding Sites List in 4own
Fluorine binding site 1 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-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 5-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:31.6
occ:0.50
 FAD A:5RG404 0.0 31.6 0.5
CAJ A:5RG404 1.2 29.6 0.5
CAG A:5RG404 2.2 30.1 0.5
CAF A:5RG404 2.2 28.8 0.5
CE1 A:HIS136 3.3 26.1 1.0
NE2 A:HIS136 3.4 26.5 1.0
ND1 A:HIS136 3.4 25.1 1.0
CAK A:5RG404 3.4 31.1 0.5
N A:GLY137 3.5 30.7 1.0
CAE A:5RG404 3.5 29.3 0.5
CB A:ALA179 3.5 26.1 1.0
CD2 A:HIS136 3.5 25.6 1.0
CA A:GLY137 3.5 32.4 1.0
CG A:HIS136 3.5 26.6 1.0
C A:GLY137 3.6 32.0 1.0
O A:GLY137 3.6 31.7 1.0
CAI A:5RG404 3.9 30.3 0.5
C A:HIS136 4.0 30.4 1.0
CB A:ASN138 4.2 34.8 1.0
N A:ASN138 4.3 33.1 1.0
CA A:GLY206 4.3 21.6 1.0
CB A:HIS136 4.4 27.3 1.0
O A:HIS136 4.4 34.9 1.0
O A:GLY206 4.5 20.0 1.0
CA A:ALA179 4.6 25.9 1.0
CAH A:5RG404 4.6 31.9 0.5
C A:GLY206 4.7 21.0 1.0
CA A:HIS136 4.7 28.7 1.0
OAC A:5RG404 4.8 32.3 0.5
N A:ALA179 4.8 25.6 1.0
CA A:ASN138 4.9 34.3 1.0

Fluorine binding site 2 out of 4 in 4own

Go back to Fluorine Binding Sites List in 4own
Fluorine binding site 2 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-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 5-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F405

b:51.5
occ:1.00
 FAD A:5RG405 0.0 51.5 1.0
CAJ A:5RG405 1.3 41.5 1.0
CAF A:5RG405 2.3 40.0 1.0
CAG A:5RG405 2.4 41.6 1.0
ND2 A:ASN138 2.5 35.5 1.0
CG A:ASN138 3.5 35.1 1.0
CAE A:5RG405 3.6 38.9 1.0
CAK A:5RG405 3.6 41.8 1.0
OAC A:5RG404 3.7 32.3 0.5
CB A:ALA179 3.9 26.1 1.0
OD1 A:ASN138 4.0 35.1 1.0
CAI A:5RG405 4.1 40.0 1.0
CB A:ASN138 4.6 34.8 1.0
CE2 A:TYR186 4.6 23.2 1.0
CD A:PRO180 4.6 27.8 1.0
CD2 A:TYR186 4.6 24.1 1.0
CAG A:5RG404 4.6 30.1 0.5
CG A:PRO180 4.7 27.8 1.0
CAH A:5RG404 4.7 31.9 0.5
CAH A:5RG405 4.8 45.5 1.0
N A:PRO180 4.9 26.4 1.0
CB A:ALA190 4.9 24.9 1.0
OAB A:5RG405 5.0 48.5 1.0
C A:ALA179 5.0 25.4 1.0

Fluorine binding site 3 out of 4 in 4own

Go back to Fluorine Binding Sites List in 4own
Fluorine binding site 3 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:46.5
occ:1.00
 FAD B:5RG404 0.0 46.5 1.0
CAJ B:5RG404 1.2 38.5 1.0
CAF B:5RG404 2.3 36.3 1.0
CAG B:5RG404 2.3 38.9 1.0
ND2 B:ASN138 2.6 43.1 1.0
CAE B:5RG404 3.5 36.3 1.0
CAK B:5RG404 3.5 37.9 1.0
OAB B:5RG405 3.6 73.4 1.0
CG B:ASN138 3.8 40.6 1.0
CAI B:5RG404 4.0 37.1 1.0
CB B:ALA179 4.1 25.8 1.0
OD1 B:ASN138 4.5 40.5 1.0
CD2 B:TYR186 4.5 20.7 1.0
CAH B:5RG405 4.6 71.6 1.0
CE2 B:TYR186 4.6 21.9 1.0
CAH B:5RG404 4.7 40.6 1.0
CG B:PRO180 4.7 29.5 1.0
CB B:ALA190 4.8 21.1 1.0
CD B:PRO180 4.8 28.6 1.0
CAG B:5RG405 4.8 64.6 1.0
CB B:ASN138 4.8 41.7 1.0
OAC B:5RG404 4.9 41.0 1.0
N B:PRO180 5.0 28.6 1.0

Fluorine binding site 4 out of 4 in 4own

Go back to Fluorine Binding Sites List in 4own
Fluorine binding site 4 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 5-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F405

b:64.0
occ:1.00
 FAD B:5RG405 0.0 64.0 1.0
CAJ B:5RG405 1.2 63.9 1.0
CAG B:5RG405 2.2 64.6 1.0
CAF B:5RG405 2.3 61.9 1.0
CE1 B:HIS136 2.8 28.5 1.0
ND1 B:HIS136 2.9 27.0 1.0
NE2 B:HIS136 3.1 28.6 1.0
CG B:HIS136 3.3 29.1 1.0
CD2 B:HIS136 3.3 29.4 1.0
CAK B:5RG405 3.5 68.9 1.0
CAE B:5RG405 3.6 64.3 1.0
CB B:ALA179 3.6 25.8 1.0
N B:GLY137 3.8 36.0 1.0
CA B:GLY206 3.9 23.8 1.0
O B:GLY137 4.0 38.0 1.0
CAI B:5RG405 4.0 67.3 1.0
CA B:GLY137 4.0 38.7 1.0
C B:GLY137 4.1 37.8 1.0
O B:GLY206 4.1 20.7 1.0
C B:HIS136 4.2 35.5 1.0
CB B:HIS136 4.2 29.9 1.0
C B:GLY206 4.2 23.0 1.0
CAH B:5RG405 4.6 71.6 1.0
CA B:ALA179 4.6 25.5 1.0
O B:HIS136 4.7 40.8 1.0
CA B:HIS136 4.7 31.9 1.0
OAB B:5RG405 4.9 73.4 1.0
N B:ASN138 4.9 41.0 1.0
CB B:ASN138 4.9 41.7 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 04:42:46 2024

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