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Fluorine in PDB 2cnb: Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose

Enzymatic activity of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose

All present enzymatic activity of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose:
5.1.3.2;

Protein crystallography data

The structure of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose, PDB code: 2cnb was solved by M.S.Alphey, M.A.J.Ferguson, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 91.67 / 2.7
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 101.724, 111.694, 160.873, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 28.1

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose (pdb code 2cnb). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose, PDB code: 2cnb:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 2cnb

Go back to Fluorine Binding Sites List in 2cnb
Fluorine binding site 1 out of 4 in the Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1382

b:46.5
occ:1.00
 F4' A:UFG1382 0.0 46.5 1.0
C4' A:UFG1382 1.4 46.7 1.0
C3' A:UFG1382 2.4 47.5 1.0
C5' A:UFG1382 2.4 47.2 1.0
OG A:SER142 2.7 34.5 1.0
C6' A:UFG1382 2.7 47.8 1.0
O3' A:UFG1382 2.7 48.0 1.0
OH A:TYR173 2.8 37.0 1.0
C5N A:NAD1383 3.0 43.2 1.0
C2' A:UFG1382 3.1 46.5 1.0
O5' A:UFG1382 3.1 46.6 1.0
C4N A:NAD1383 3.2 41.8 1.0
CE2 A:TYR173 3.3 34.7 1.0
CZ A:TYR173 3.5 35.5 1.0
CB A:SER142 3.5 33.5 1.0
C6N A:NAD1383 3.6 41.7 1.0
C1' A:UFG1382 3.6 46.3 1.0
C3N A:NAD1383 3.9 40.5 1.0
O6' A:UFG1382 4.1 49.7 1.0
N1N A:NAD1383 4.2 40.9 1.0
C2N A:NAD1383 4.3 41.2 1.0
O2' A:UFG1382 4.4 45.1 1.0
O3B A:UFG1382 4.5 45.9 1.0
O A:PHE201 4.5 35.6 1.0
C7N A:NAD1383 4.5 40.1 1.0
CD2 A:TYR173 4.6 36.3 1.0
O7N A:NAD1383 4.6 39.6 1.0
CA A:SER142 4.6 33.6 1.0
CE1 A:TYR173 4.8 34.8 1.0
CB A:ALA144 4.9 35.0 1.0

Fluorine binding site 2 out of 4 in 2cnb

Go back to Fluorine Binding Sites List in 2cnb
Fluorine binding site 2 out of 4 in the Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F1382

b:38.4
occ:1.00
 F4' B:UFG1382 0.0 38.4 1.0
C4' B:UFG1382 1.4 36.1 1.0
C5' B:UFG1382 2.3 36.3 1.0
C3' B:UFG1382 2.4 35.4 1.0
C6' B:UFG1382 2.7 37.5 1.0
O3' B:UFG1382 2.7 35.3 1.0
O5' B:UFG1382 2.8 35.2 1.0
OG B:SER142 2.8 33.9 1.0
OH B:TYR173 2.9 36.9 1.0
C5N B:NAD1383 3.0 40.5 1.0
C2' B:UFG1382 3.1 34.6 1.0
CE2 B:TYR173 3.3 33.5 1.0
C4N B:NAD1383 3.4 40.5 1.0
C6N B:NAD1383 3.4 39.5 1.0
CZ B:TYR173 3.4 35.1 1.0
C1' B:UFG1382 3.5 34.8 1.0
CB B:SER142 3.6 33.8 1.0
O6' B:UFG1382 4.0 39.4 1.0
C3N B:NAD1383 4.1 40.1 1.0
N1N B:NAD1383 4.1 40.3 1.0
O3B B:UFG1382 4.3 35.0 1.0
O2' B:UFG1382 4.4 33.7 1.0
C2N B:NAD1383 4.4 41.1 1.0
CD2 B:TYR173 4.5 35.2 1.0
O7N B:NAD1383 4.5 41.5 1.0
C7N B:NAD1383 4.6 39.8 1.0
O B:PHE201 4.6 37.9 1.0
CA B:SER142 4.7 34.0 1.0
CE1 B:TYR173 4.7 35.0 1.0
CB B:ALA144 4.8 33.8 1.0

Fluorine binding site 3 out of 4 in 2cnb

Go back to Fluorine Binding Sites List in 2cnb
Fluorine binding site 3 out of 4 in the Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F1382

b:53.3
occ:1.00
 F4' C:UFG1382 0.0 53.3 1.0
C4' C:UFG1382 1.4 52.9 1.0
C5' C:UFG1382 2.4 53.4 1.0
C3' C:UFG1382 2.4 52.5 1.0
O3' C:UFG1382 2.7 52.5 1.0
C6' C:UFG1382 2.8 53.7 1.0
OG C:SER142 2.9 36.0 1.0
OH C:TYR173 3.0 37.6 1.0
C5N C:NAD1383 3.1 38.0 1.0
O5' C:UFG1382 3.1 51.8 1.0
C2' C:UFG1382 3.1 51.5 1.0
C4N C:NAD1383 3.2 37.5 1.0
CB C:SER142 3.5 36.4 1.0
CE2 C:TYR173 3.5 34.5 1.0
CZ C:TYR173 3.6 35.7 1.0
C6N C:NAD1383 3.7 37.4 1.0
C1' C:UFG1382 3.7 50.9 1.0
C3N C:NAD1383 3.7 37.5 1.0
N1N C:NAD1383 4.1 36.2 1.0
O6' C:UFG1382 4.2 52.6 1.0
C2N C:NAD1383 4.2 36.7 1.0
O2' C:UFG1382 4.4 51.5 1.0
C7N C:NAD1383 4.4 37.9 1.0
O7N C:NAD1383 4.5 37.6 1.0
O3B C:UFG1382 4.5 50.2 1.0
O C:PHE201 4.6 35.5 1.0
CA C:SER142 4.7 36.3 1.0
CD2 C:TYR173 4.7 34.8 1.0
CE1 C:TYR173 4.9 35.3 1.0

Fluorine binding site 4 out of 4 in 2cnb

Go back to Fluorine Binding Sites List in 2cnb
Fluorine binding site 4 out of 4 in the Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad and the Substrate Analogue Udp-4-Deoxy-4- Fluoro-Alpha-D-Galactose within 5.0Å range:
probe atom residue distance (Å) B Occ
D:F1382

b:43.0
occ:1.00
 F4' D:UFG1382 0.0 43.0 1.0
C4' D:UFG1382 1.4 40.9 1.0
C5' D:UFG1382 2.3 40.5 1.0
C3' D:UFG1382 2.4 41.3 1.0
O5' D:UFG1382 2.7 40.4 1.0
O3' D:UFG1382 2.7 42.7 1.0
C6' D:UFG1382 2.7 41.0 1.0
OH D:TYR173 2.9 36.2 1.0
C2' D:UFG1382 3.0 40.0 1.0
C5N D:NAD1383 3.0 46.3 1.0
OG D:SER142 3.1 37.8 1.0
C4N D:NAD1383 3.2 46.3 1.0
CE2 D:TYR173 3.3 35.7 1.0
CZ D:TYR173 3.4 35.4 1.0
C1' D:UFG1382 3.4 39.1 1.0
C6N D:NAD1383 3.6 46.5 1.0
CB D:SER142 3.6 38.2 1.0
O6' D:UFG1382 3.9 42.0 1.0
C3N D:NAD1383 3.9 46.4 1.0
N1N D:NAD1383 4.2 45.8 1.0
C2N D:NAD1383 4.3 45.9 1.0
O3B D:UFG1382 4.3 37.6 1.0
O2' D:UFG1382 4.4 38.9 1.0
CD2 D:TYR173 4.5 38.9 1.0
C7N D:NAD1383 4.6 44.8 1.0
CE1 D:TYR173 4.7 36.7 1.0
O7N D:NAD1383 4.7 43.9 1.0
O D:PHE201 4.8 39.0 1.0
CA D:SER142 4.8 37.7 1.0
CB D:ALA144 4.9 39.2 1.0

Reference:

M.S.Alphey, A.Burton, M.Urbaniak, G.J.Boons, M.A.J.Ferguson, W.N.Hunter. Trypanosoma Brucei Udp-Galactose-4-Epimerase in Ternary Complex with Nad+ and the Substrate Analogue Udp-4-Deoxy-4-Fluoro-Alpha-D-Galactose Acta Crystallogr.,Sect.F V. 62 829 2006.
ISSN: ISSN 1744-3091
PubMed: 16946458
DOI: 10.1107/S1744309106028740
Page generated: Sun Dec 13 11:35:28 2020

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