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Fluorine in PDB 3w1t: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095, PDB code: 3w1t was solved by D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.07 / 1.68
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.139, 71.908, 128.843, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 17.9

Other elements in 3w1t:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 also contains other interesting chemical elements:

Cobalt (Co) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 (pdb code 3w1t). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 6 binding sites of Fluorine where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095, PDB code: 3w1t:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3w1t

Go back to Fluorine Binding Sites List in 3w1t
Fluorine binding site 1 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:26.7
occ:1.00
 FAF A:WRO401 0.0 26.7 1.0
CAW A:WRO401 1.2 25.7 1.0
FAG A:WRO401 1.9 25.0 1.0
FAE A:WRO401 1.9 19.1 1.0
CAR A:WRO401 2.4 23.1 1.0
CAK A:WRO401 2.9 19.5 1.0
CD2 A:LEU71 3.6 18.8 1.0
CAJ A:WRO401 3.6 25.6 1.0
CD2 A:LEU101 3.6 28.4 1.0
CB A:LEU71 3.8 13.3 1.0
NH2 A:ARG50 3.9 14.2 1.0
CZ A:ARG50 4.1 13.2 1.0
CAQ A:WRO401 4.3 18.6 1.0
CG A:PRO131 4.4 28.8 1.0
NE A:ARG50 4.5 11.2 1.0
CG A:LEU71 4.5 16.3 1.0
O A:GLY70 4.6 9.4 1.0
NH1 A:ARG50 4.6 13.1 1.0
C A:GLY70 4.6 9.7 1.0
O A:HOH662 4.8 37.6 1.0
CAH A:WRO401 4.8 24.5 1.0
N A:LEU71 4.8 9.3 1.0
CD A:PRO131 4.8 30.4 1.0
CG A:LEU101 4.9 26.8 1.0
CA A:LEU71 5.0 10.8 1.0
CD1 A:LEU101 5.0 29.8 1.0

Fluorine binding site 2 out of 6 in 3w1t

Go back to Fluorine Binding Sites List in 3w1t
Fluorine binding site 2 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:25.0
occ:1.00
 FAG A:WRO401 0.0 25.0 1.0
CAW A:WRO401 1.2 25.7 1.0
FAF A:WRO401 1.9 26.7 1.0
FAE A:WRO401 2.1 19.1 1.0
CAR A:WRO401 2.2 23.1 1.0
CAJ A:WRO401 2.7 25.6 1.0
CAK A:WRO401 3.4 19.5 1.0
CG A:PRO131 3.5 28.8 1.0
CAH A:WRO401 4.1 24.5 1.0
CD A:PRO131 4.3 30.4 1.0
O A:HOH662 4.4 37.6 1.0
CB A:PRO131 4.4 28.4 1.0
NH2 A:ARG50 4.5 14.2 1.0
O A:HOH793 4.6 17.6 1.0
CAQ A:WRO401 4.6 18.6 1.0
CAI A:WRO401 4.8 22.8 1.0
CD2 A:LEU101 4.9 28.4 1.0

Fluorine binding site 3 out of 6 in 3w1t

Go back to Fluorine Binding Sites List in 3w1t
Fluorine binding site 3 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:19.1
occ:1.00
 FAE A:WRO401 0.0 19.1 1.0
CAW A:WRO401 1.2 25.7 1.0
FAF A:WRO401 1.9 26.7 1.0
FAG A:WRO401 2.1 25.0 1.0
CAR A:WRO401 2.2 23.1 1.0
CAJ A:WRO401 3.0 25.6 1.0
C A:GLY70 3.1 9.7 1.0
CAK A:WRO401 3.2 19.5 1.0
CA A:GLY70 3.3 9.8 1.0
NH2 A:ARG50 3.3 14.2 1.0
O A:GLY70 3.3 9.4 1.0
N A:LEU71 3.7 9.3 1.0
CB A:LEU71 3.8 13.3 1.0
CZ A:ARG50 4.0 13.2 1.0
CAH A:WRO401 4.3 24.5 1.0
CA A:LEU71 4.4 10.8 1.0
O A:HOH662 4.4 37.6 1.0
O A:HOH793 4.4 17.6 1.0
NE A:ARG50 4.4 11.2 1.0
CAQ A:WRO401 4.4 18.6 1.0
N A:GLY70 4.4 10.7 1.0
CD2 A:LEU71 4.7 18.8 1.0
O A:HOH791 4.7 20.6 1.0
CAI A:WRO401 4.8 22.8 1.0
NH1 A:ARG50 4.9 13.1 1.0
CG A:LEU71 5.0 16.3 1.0

Fluorine binding site 4 out of 6 in 3w1t

Go back to Fluorine Binding Sites List in 3w1t
Fluorine binding site 4 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:16.9
occ:1.00
 FAF B:WRO401 0.0 16.9 1.0
CAW B:WRO401 1.3 21.9 1.0
FAG B:WRO401 2.0 24.1 1.0
FAE B:WRO401 2.0 25.0 1.0
CAR B:WRO401 2.3 16.6 1.0
CAK B:WRO401 2.7 14.7 1.0
O B:GLY70 3.3 12.1 1.0
C B:GLY70 3.3 11.6 1.0
NH2 B:ARG50 3.4 14.2 1.0
CAJ B:WRO401 3.5 16.4 1.0
CA B:GLY70 3.6 11.4 1.0
CB B:LEU71 3.6 12.1 1.0
N B:LEU71 3.8 10.2 1.0
CZ B:ARG50 4.0 14.9 1.0
CAQ B:WRO401 4.1 13.4 1.0
NE B:ARG50 4.2 12.2 1.0
CA B:LEU71 4.3 10.6 1.0
CAH B:WRO401 4.6 16.6 1.0
O B:HOH789 4.6 40.6 1.0
O B:HOH761 4.7 27.5 1.0
N B:GLY70 4.7 11.1 1.0
NH1 B:ARG50 4.8 14.9 1.0
CAI B:WRO401 4.8 15.2 1.0
CG B:LEU71 4.9 14.6 1.0

Fluorine binding site 5 out of 6 in 3w1t

Go back to Fluorine Binding Sites List in 3w1t
Fluorine binding site 5 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 5 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:24.1
occ:1.00
 FAG B:WRO401 0.0 24.1 1.0
CAW B:WRO401 1.2 21.9 1.0
FAF B:WRO401 2.0 16.9 1.0
FAE B:WRO401 2.0 25.0 1.0
CAR B:WRO401 2.2 16.6 1.0
CAJ B:WRO401 2.6 16.4 1.0
CZ B:ARG50 3.2 14.9 1.0
NH2 B:ARG50 3.2 14.2 1.0
CAK B:WRO401 3.4 14.7 1.0
CD2 B:LEU101 3.5 24.8 1.0
NE B:ARG50 3.5 12.2 1.0
NH1 B:ARG50 3.6 14.9 1.0
CB B:LEU71 3.9 12.1 1.0
CAH B:WRO401 3.9 16.6 1.0
O B:GLY70 4.2 12.1 1.0
CD B:ARG50 4.3 13.4 1.0
CD2 B:LEU71 4.4 16.0 1.0
O B:HOH789 4.4 40.6 1.0
CAQ B:WRO401 4.5 13.4 1.0
C B:GLY70 4.7 11.6 1.0
CAI B:WRO401 4.7 15.2 1.0
CG B:LEU101 4.7 26.1 1.0
CG B:LEU71 4.8 14.6 1.0
CG B:PRO131 4.8 22.9 1.0
CD1 B:LEU101 4.9 27.8 1.0
N B:LEU71 5.0 10.2 1.0
CD B:PRO131 5.0 21.4 1.0

Fluorine binding site 6 out of 6 in 3w1t

Go back to Fluorine Binding Sites List in 3w1t
Fluorine binding site 6 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 6 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:25.0
occ:1.00
 FAE B:WRO401 0.0 25.0 1.0
CAW B:WRO401 1.2 21.9 1.0
FAF B:WRO401 2.0 16.9 1.0
FAG B:WRO401 2.0 24.1 1.0
CAR B:WRO401 2.2 16.6 1.0
CAJ B:WRO401 3.0 16.4 1.0
CAK B:WRO401 3.1 14.7 1.0
CG B:PRO131 4.0 22.9 1.0
O B:HOH789 4.1 40.6 1.0
CD B:PRO131 4.2 21.4 1.0
CAH B:WRO401 4.2 16.6 1.0
NH2 B:ARG50 4.3 14.2 1.0
CD2 B:LEU101 4.3 24.8 1.0
CAQ B:WRO401 4.3 13.4 1.0
CAI B:WRO401 4.7 15.2 1.0
CZ B:ARG50 4.8 14.9 1.0
CB B:PRO131 4.9 24.1 1.0

Reference:

D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Shiba, K.Sakamoto, S.Suzuki, E.O.Balogun, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita. Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-095 To Be Published.
Page generated: Wed Jul 31 23:25:49 2024

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