Atomistry » Fluorine » PDB 3vrs-3wyk » 3w1t
Atomistry »
  Fluorine »
    PDB 3vrs-3wyk »
      3w1t »

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

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy