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Fluorine in PDB 4owo: Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium

Enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium

All present enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium:
2.4.2.18;

Protein crystallography data

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owo 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 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.409, 92.099, 121.294, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.4

Other elements in 4owo:

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-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 6-Fluoroanthranilate, Prpp and Magnesium (pdb code 4owo). 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 6-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owo:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 4owo

Go back to Fluorine Binding Sites List in 4owo
Fluorine binding site 1 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-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 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F404

b:41.4
occ:1.00
 FAD A:6F0404 0.0 41.4 1.0
CAJ A:6F0404 1.3 39.6 1.0
CAG A:6F0404 2.3 38.9 1.0
CAK A:6F0404 2.4 40.5 1.0
OAB A:6F0404 2.6 40.9 1.0
CAH A:6F0404 2.9 42.4 1.0
O A:HIS183 3.0 15.4 1.0
O A:HOH672 3.2 33.6 1.0
CAE A:6F0404 3.6 36.6 1.0
CAI A:6F0404 3.7 38.1 1.0
N A:ARG187 3.7 20.4 1.0
C A:HIS183 3.9 16.2 1.0
CA A:ARG187 3.9 22.4 1.0
CA A:PRO180 4.0 21.3 1.0
C A:TYR186 4.0 18.8 1.0
O A:PRO184 4.1 18.0 1.0
CB A:TYR186 4.1 17.7 1.0
OAC A:6F0404 4.1 42.8 1.0
CAF A:6F0404 4.1 37.7 1.0
CA A:PRO184 4.2 18.1 1.0
CB A:ARG187 4.2 24.6 1.0
O A:PRO180 4.3 21.7 1.0
C A:PRO184 4.3 18.1 1.0
CA A:TYR186 4.4 17.8 1.0
CB A:PRO180 4.5 22.1 1.0
N A:TYR186 4.5 17.5 1.0
N A:PRO184 4.5 17.4 1.0
O A:TYR186 4.5 18.6 1.0
O A:HOH683 4.6 38.0 1.0
C A:PRO180 4.6 21.4 1.0
CD2 A:TYR186 4.7 19.0 1.0
NAA A:6F0404 4.8 38.3 1.0
CB A:HIS183 4.8 15.6 1.0
CB A:ALA190 4.8 20.0 1.0
O A:ALA179 4.9 20.2 1.0
N A:PRO180 4.9 20.7 1.0
CA A:HIS183 4.9 16.1 1.0
CG A:TYR186 4.9 17.7 1.0

Fluorine binding site 2 out of 4 in 4owo

Go back to Fluorine Binding Sites List in 4owo
Fluorine binding site 2 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-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 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F405

b:22.9
occ:1.00
 FAD A:6F0405 0.0 22.9 1.0
CAJ A:6F0405 1.3 22.6 1.0
CAG A:6F0405 2.4 22.2 1.0
CAK A:6F0405 2.4 22.3 1.0
OAB A:6F0405 2.7 20.2 1.0
CAH A:6F0405 2.8 23.0 1.0
CB A:ALA179 3.1 19.8 1.0
ND2 A:ASN138 3.4 20.7 1.0
CAE A:6F0405 3.6 22.4 1.0
CAI A:6F0405 3.6 22.4 1.0
CB A:ASN138 3.7 22.0 1.0
OAC A:6F0405 4.0 22.1 1.0
CG A:ASN138 4.0 22.6 1.0
CAF A:6F0404 4.1 37.7 1.0
CAF A:6F0405 4.1 22.9 1.0
CA A:GLY206 4.2 18.2 1.0
CAE A:6F0404 4.3 36.6 1.0
O A:GLY137 4.5 20.7 1.0
CA A:ALA179 4.6 19.7 1.0
CE1 A:HIS136 4.7 18.6 1.0
NE2 A:HIS136 4.7 19.2 1.0
NAA A:6F0405 4.7 23.0 1.0
C A:GLY137 4.8 21.2 1.0
CA A:ASN138 4.9 22.2 1.0

Fluorine binding site 3 out of 4 in 4owo

Go back to Fluorine Binding Sites List in 4owo
Fluorine binding site 3 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-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 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F404

b:33.5
occ:1.00
 FAD B:6F0404 0.0 33.5 1.0
CAJ B:6F0404 1.4 32.7 1.0
CAG B:6F0404 2.4 32.1 1.0
CAK B:6F0404 2.4 32.6 1.0
OAC B:6F0404 2.5 32.5 1.0
CAH B:6F0404 2.8 33.0 1.0
O B:HIS183 3.0 16.4 1.0
CAE B:6F0404 3.7 31.1 1.0
CAI B:6F0404 3.7 31.7 1.0
N B:ARG187 3.8 20.2 1.0
CA B:ARG187 3.9 22.2 1.0
C B:HIS183 4.0 16.4 1.0
CA B:PRO180 4.0 20.5 1.0
C B:TYR186 4.1 18.3 1.0
OAB B:6F0404 4.1 32.1 1.0
O B:PRO184 4.1 18.1 1.0
CAF B:6F0404 4.2 32.5 1.0
CB B:ARG187 4.2 23.9 1.0
CB B:TYR186 4.2 17.6 1.0
CA B:PRO184 4.3 17.9 1.0
O B:PRO180 4.4 20.2 1.0
C B:PRO184 4.4 18.2 1.0
CB B:PRO180 4.5 21.4 1.0
O B:TYR186 4.5 16.9 1.0
CA B:TYR186 4.5 17.6 1.0
N B:PRO184 4.5 16.9 1.0
O B:HOH614 4.6 35.8 1.0
N B:TYR186 4.6 18.1 1.0
CD2 B:TYR186 4.7 18.1 1.0
C B:PRO180 4.7 20.7 1.0
NAA B:6F0404 4.8 31.7 1.0
CB B:HIS183 4.8 15.1 1.0
CB B:ALA190 4.8 19.1 1.0
N B:PRO180 4.9 19.9 1.0
O B:ALA179 4.9 19.6 1.0
CA B:HIS183 5.0 15.5 1.0
CG B:TYR186 5.0 17.8 1.0
CG B:PRO180 5.0 21.1 1.0

Fluorine binding site 4 out of 4 in 4owo

Go back to Fluorine Binding Sites List in 4owo
Fluorine binding site 4 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-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 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F405

b:24.4
occ:1.00
 FAD B:6F0405 0.0 24.4 1.0
CAJ B:6F0405 1.4 25.9 1.0
CAG B:6F0405 2.4 24.7 1.0
CAK B:6F0405 2.4 25.0 1.0
OAC B:6F0405 2.7 25.2 1.0
CAH B:6F0405 2.8 26.4 1.0
CB B:ALA179 3.0 19.3 1.0
ND2 B:ASN138 3.5 23.2 1.0
CAE B:6F0405 3.6 24.7 1.0
CAI B:6F0405 3.7 26.2 1.0
CAF B:6F0404 3.7 32.5 1.0
CAE B:6F0404 3.9 31.1 1.0
OAB B:6F0405 3.9 24.2 1.0
CB B:ASN138 4.0 22.1 1.0
CA B:GLY206 4.1 19.6 1.0
CAF B:6F0405 4.1 25.9 1.0
CG B:ASN138 4.2 22.3 1.0
CA B:ALA179 4.6 19.3 1.0
O B:GLY137 4.6 20.4 1.0
CE1 B:HIS136 4.7 16.2 1.0
NAA B:6F0405 4.8 26.8 1.0
NE2 B:HIS136 4.8 17.0 1.0
O B:HOH620 5.0 31.2 1.0
C B:GLY137 5.0 20.9 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 04:43:41 2024

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