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Fluorine in PDB 3w2u: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193, PDB code: 3w2u 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) 36.51 / 2.25
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.215, 71.669, 129.671, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 27

Other elements in 3w2u:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193 also contains other interesting chemical elements:

Cobalt (Co) 1 atom

Fluorine Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 12;

Binding sites:

The binding sites of Fluorine atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193 (pdb code 3w2u). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 12 binding sites of Fluorine where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193, PDB code: 3w2u:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Fluorine binding site 1 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 1 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


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-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:32.2
occ:1.00
 FAF A:ROU401 0.0 32.2 1.0
CAZ A:ROU401 1.2 27.5 1.0
FAE A:ROU401 1.8 29.9 1.0
FAG A:ROU401 2.1 25.3 1.0
CAT A:ROU401 2.2 25.9 1.0
CAM A:ROU401 3.1 24.4 1.0
CAK A:ROU401 3.2 23.9 1.0
CA A:GLY70 3.2 15.0 1.0
C A:GLY70 3.2 15.4 1.0
NH2 A:ARG50 3.4 17.4 1.0
O A:GLY70 3.7 13.8 1.0
N A:LEU71 3.7 16.4 1.0
CB A:LEU71 3.9 18.4 1.0
O A:HOH656 4.1 10.4 1.0
N A:GLY70 4.2 14.7 1.0
CZ A:ARG50 4.3 17.7 1.0
CAU A:ROU401 4.3 23.4 1.0
CAS A:ROU401 4.4 22.1 1.0
CA A:LEU71 4.4 17.6 1.0
O A:HOH648 4.5 39.9 1.0
NE A:ARG50 4.8 18.2 1.0
CAL A:ROU401 4.9 23.1 1.0
CD2 A:LEU71 5.0 19.4 1.0

Fluorine binding site 2 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 2 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


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-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:25.3
occ:1.00
 FAG A:ROU401 0.0 25.3 1.0
CAZ A:ROU401 1.4 27.5 1.0
FAE A:ROU401 2.0 29.9 1.0
FAF A:ROU401 2.1 32.2 1.0
CAT A:ROU401 2.3 25.9 1.0
CAK A:ROU401 2.7 23.9 1.0
CD2 A:LEU101 3.6 29.9 1.0
CAM A:ROU401 3.6 24.4 1.0
CD2 A:LEU71 3.6 19.4 1.0
CB A:LEU71 3.7 18.4 1.0
NH2 A:ARG50 3.9 17.4 1.0
CAS A:ROU401 4.1 22.1 1.0
CZ A:ARG50 4.2 17.7 1.0
CG A:PRO131 4.3 48.4 1.0
CG A:LEU71 4.3 19.4 1.0
CD1 A:LEU101 4.3 32.1 1.0
NE A:ARG50 4.5 18.2 1.0
C A:GLY70 4.6 15.4 1.0
CG A:LEU101 4.6 30.8 1.0
NH1 A:ARG50 4.7 19.2 1.0
SG A:CYS130 4.7 62.9 1.0
N A:LEU71 4.7 16.4 1.0
CD A:PRO131 4.7 46.6 1.0
CAU A:ROU401 4.7 23.4 1.0
O A:GLY70 4.8 13.8 1.0
CA A:LEU71 4.9 17.6 1.0
CAL A:ROU401 4.9 23.1 1.0
CAN A:ROU401 5.0 19.2 1.0

Fluorine binding site 3 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 3 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


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-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:29.9
occ:1.00
 FAE A:ROU401 0.0 29.9 1.0
CAZ A:ROU401 1.1 27.5 1.0
FAF A:ROU401 1.8 32.2 1.0
FAG A:ROU401 2.0 25.3 1.0
CAT A:ROU401 2.1 25.9 1.0
CAM A:ROU401 2.7 24.4 1.0
CAK A:ROU401 3.4 23.9 1.0
CG A:PRO131 3.6 48.4 1.0
CAU A:ROU401 4.1 23.4 1.0
O A:HOH656 4.3 10.4 1.0
NH2 A:ARG50 4.4 17.4 1.0
CD A:PRO131 4.5 46.6 1.0
CAS A:ROU401 4.6 22.1 1.0
CAL A:ROU401 4.8 23.1 1.0
CB A:PRO131 4.9 44.3 1.0
CA A:GLY70 4.9 15.0 1.0

Fluorine binding site 4 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 4 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


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-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:21.9
occ:1.00
 FAI A:ROU401 0.0 21.9 1.0
CBA A:ROU401 1.4 24.5 1.0
FAJ A:ROU401 2.2 22.3 1.0
CAU A:ROU401 2.3 23.4 1.0
FAH A:ROU401 2.3 24.1 1.0
CAL A:ROU401 3.2 23.1 1.0
CAM A:ROU401 3.2 24.4 1.0
CD A:PRO131 3.7 46.6 1.0
O A:HOH588 4.0 30.5 1.0
CG A:PRO131 4.1 48.4 1.0
NZ A:LYS214 4.4 19.5 1.0
CAS A:ROU401 4.4 22.1 1.0
CAT A:ROU401 4.4 25.9 1.0
O A:HOH663 4.6 30.7 1.0
O B:HOH543 4.7 42.3 1.0
CB A:PRO131 4.7 44.3 1.0
O A:HOH647 4.7 22.4 1.0
N A:PRO131 4.8 45.4 1.0
O A:HOH648 4.8 39.9 1.0
CAK A:ROU401 4.9 23.9 1.0
O A:SER129 4.9 54.2 1.0
O A:HOH529 5.0 11.2 1.0

Fluorine binding site 5 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 5 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


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-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:22.3
occ:1.00
 FAJ A:ROU401 0.0 22.3 1.0
CBA A:ROU401 1.4 24.5 1.0
FAI A:ROU401 2.2 21.9 1.0
FAH A:ROU401 2.3 24.1 1.0
CAU A:ROU401 2.4 23.4 1.0
CAL A:ROU401 2.8 23.1 1.0
O A:HOH657 3.1 29.2 1.0
O A:HOH647 3.3 22.4 1.0
O A:HOH662 3.5 28.2 1.0
O A:HOH663 3.6 30.7 1.0
CAM A:ROU401 3.7 24.4 1.0
O A:HOH529 3.7 11.2 1.0
O A:HOH648 3.9 39.9 1.0
CAS A:ROU401 4.1 22.1 1.0
OAD A:ROU401 4.3 26.2 1.0
NZ A:LYS214 4.4 19.5 1.0
CAV A:ROU401 4.8 22.1 1.0
CAT A:ROU401 4.8 25.9 1.0
NAP A:ROU401 4.9 20.6 1.0
CAW A:ROU401 5.0 19.4 1.0
CAN A:ROU401 5.0 19.2 1.0
CAK A:ROU401 5.0 23.9 1.0

Fluorine binding site 6 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 6 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


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-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:24.1
occ:1.00
 FAH A:ROU401 0.0 24.1 1.0
CBA A:ROU401 1.5 24.5 1.0
FAJ A:ROU401 2.3 22.3 1.0
FAI A:ROU401 2.3 21.9 1.0
CAU A:ROU401 2.4 23.4 1.0
O A:HOH648 2.7 39.9 1.0
CAM A:ROU401 2.8 24.4 1.0
NZ A:LYS214 3.1 19.5 1.0
O A:HOH647 3.3 22.4 1.0
CAL A:ROU401 3.6 23.1 1.0
O A:HOH588 3.7 30.5 1.0
O A:HOH656 4.0 10.4 1.0
CAT A:ROU401 4.2 25.9 1.0
O A:HOH657 4.2 29.2 1.0
CD A:LYS214 4.2 17.5 1.0
CE A:LYS214 4.3 18.5 1.0
OAD A:ROU401 4.7 26.2 1.0
O A:HOH529 4.7 11.2 1.0
CAS A:ROU401 4.8 22.1 1.0
CAK A:ROU401 5.0 23.9 1.0

Fluorine binding site 7 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 7 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 7 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:29.6
occ:1.00
 FAF B:ROU401 0.0 29.6 1.0
CAZ B:ROU401 1.3 31.0 1.0
FAG B:ROU401 2.1 29.1 1.0
FAE B:ROU401 2.2 34.1 1.0
CAT B:ROU401 2.3 29.3 1.0
CAK B:ROU401 2.7 27.9 1.0
CD2 B:LEU101 3.4 36.6 1.0
CAM B:ROU401 3.5 26.4 1.0
CD2 B:LEU71 3.9 24.6 1.0
CB B:LEU71 3.9 21.8 1.0
NH2 B:ARG50 4.0 21.5 1.0
CAS B:ROU401 4.1 26.1 1.0
CZ B:ARG50 4.3 20.4 1.0
CG B:LEU71 4.6 23.1 1.0
O B:GLY70 4.6 19.4 1.0
CD B:PRO131 4.6 48.7 1.0
SG B:CYS130 4.6 53.6 1.0
NE B:ARG50 4.6 21.9 1.0
CAU B:ROU401 4.7 27.1 1.0
CG B:PRO131 4.7 48.2 1.0
C B:GLY70 4.7 19.1 1.0
NH1 B:ARG50 4.7 20.9 1.0
CG B:LEU101 4.8 37.2 1.0
CAL B:ROU401 4.9 25.5 1.0

Fluorine binding site 8 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 8 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 8 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:29.1
occ:1.00
 FAG B:ROU401 0.0 29.1 1.0
CAZ B:ROU401 1.3 31.0 1.0
FAF B:ROU401 2.1 29.6 1.0
FAE B:ROU401 2.2 34.1 1.0
CAT B:ROU401 2.3 29.3 1.0
CAM B:ROU401 2.8 26.4 1.0
CAK B:ROU401 3.6 27.9 1.0
O B:HOH649 3.9 17.1 1.0
CAU B:ROU401 4.1 27.1 1.0
CG B:PRO131 4.2 48.2 1.0
NH2 B:ARG50 4.3 21.5 1.0
CD B:PRO131 4.6 48.7 1.0
CAS B:ROU401 4.8 26.1 1.0
CD2 B:LEU101 4.9 36.6 1.0
CAL B:ROU401 5.0 25.5 1.0
CA B:GLY70 5.0 18.0 1.0

Fluorine binding site 9 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 9 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 9 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:34.1
occ:1.00
 FAE B:ROU401 0.0 34.1 1.0
CAZ B:ROU401 1.4 31.0 1.0
FAF B:ROU401 2.2 29.6 1.0
FAG B:ROU401 2.2 29.1 1.0
CAT B:ROU401 2.4 29.3 1.0
C B:GLY70 2.9 19.1 1.0
O B:GLY70 2.9 19.4 1.0
CA B:GLY70 3.2 18.0 1.0
CAK B:ROU401 3.2 27.9 1.0
NH2 B:ARG50 3.2 21.5 1.0
CAM B:ROU401 3.3 26.4 1.0
N B:LEU71 3.5 21.3 1.0
CB B:LEU71 3.6 21.8 1.0
CZ B:ARG50 4.0 20.4 1.0
O B:HOH649 4.1 17.1 1.0
CA B:LEU71 4.2 20.3 1.0
N B:GLY70 4.3 17.1 1.0
NE B:ARG50 4.3 21.9 1.0
CAS B:ROU401 4.5 26.1 1.0
O B:HOH650 4.5 36.5 1.0
CAU B:ROU401 4.5 27.1 1.0
CD2 B:LEU71 4.8 24.6 1.0
CG B:LEU71 4.8 23.1 1.0
NH1 B:ARG50 4.9 20.9 1.0

Fluorine binding site 10 out of 12 in 3w2u

Go back to Fluorine Binding Sites List in 3w2u
Fluorine binding site 10 out of 12 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 10 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-193 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:27.8
occ:1.00
 FAI B:ROU401 0.0 27.8 1.0
CBA B:ROU401 1.5 28.2 1.0
FAH B:ROU401 2.4 24.9 1.0
FAJ B:ROU401 2.4 28.1 1.0
CAU B:ROU401 2.5 27.1 1.0
CAM B:ROU401 2.9 26.4 1.0
O B:HOH650 2.9 36.5 1.0
O B:HOH648 3.1 18.8 1.0
NZ B:LYS214 3.2 16.1 1.0
O B:HOH570 3.6 30.7 1.0
CAL B:ROU401 3.8 25.5 1.0
O B:HOH647 3.9 35.6 1.0
CD B:LYS214 4.1 15.3 1.0
O B:HOH649 4.2 17.1 1.0
CE B:LYS214 4.2 15.7 1.0
CAT B:ROU401 4.3 29.3 1.0
O B:HOH513 4.6 9.8 1.0
CAS B:ROU401 4.9 26.1 1.0
OAD B:ROU401 5.0 21.6 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-3-193 To Be Published.
Page generated: Wed Jul 31 23:28:12 2024

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