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Fluorine in PDB 3w2m: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183, PDB code: 3w2m 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) 32.88 / 1.58
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.998, 71.988, 129.097, 90.00, 90.00, 90.00
R / Rfree (%) 13.7 / 16.9

Other elements in 3w2m:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183 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-3-183 (pdb code 3w2m). 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-3-183, PDB code: 3w2m:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3w2m

Go back to Fluorine Binding Sites List in 3w2m
Fluorine binding site 1 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183


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-3-183 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:32.4
occ:1.00
 FAF A:ZRO401 0.0 32.4 1.0
CAW A:ZRO401 1.3 28.7 1.0
FAE A:ZRO401 2.2 23.0 1.0
FAG A:ZRO401 2.2 24.8 1.0
CAR A:ZRO401 2.4 18.5 1.0
O A:HOH661 2.6 35.5 1.0
CAJ A:ZRO401 2.8 17.2 1.0
CAK A:ZRO401 3.7 18.9 1.0
ND2 A:ASN53 4.0 11.0 1.0
CA A:GLY70 4.1 8.2 1.0
CAH A:ZRO401 4.2 15.7 1.0
N A:GLY70 4.6 8.0 1.0
CD A:LYS214 4.6 15.5 1.0
CAI A:ZRO401 4.8 17.7 1.0
CG A:ASN53 5.0 12.7 1.0

Fluorine binding site 2 out of 6 in 3w2m

Go back to Fluorine Binding Sites List in 3w2m
Fluorine binding site 2 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183


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-3-183 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:24.8
occ:1.00
 FAG A:ZRO401 0.0 24.8 1.0
CAW A:ZRO401 1.4 28.7 1.0
FAF A:ZRO401 2.2 32.4 1.0
CAR A:ZRO401 2.4 18.5 1.0
FAE A:ZRO401 2.4 23.0 1.0
CAK A:ZRO401 2.9 18.9 1.0
NZ A:LYS214 3.2 15.0 1.0
O A:HOH507 3.4 11.6 1.0
CD A:LYS214 3.5 15.5 1.0
CAJ A:ZRO401 3.6 17.2 1.0
O A:HOH607 3.7 21.6 1.0
O A:HOH562 3.9 26.5 1.0
O A:HOH661 4.0 35.5 1.0
CE A:LYS214 4.0 15.8 1.0
CAI A:ZRO401 4.2 17.7 1.0
O A:HOH511 4.5 17.4 1.0
CAH A:ZRO401 4.8 15.7 1.0
CG A:LYS214 4.9 13.2 1.0
OG A:SER68 4.9 12.4 1.0

Fluorine binding site 3 out of 6 in 3w2m

Go back to Fluorine Binding Sites List in 3w2m
Fluorine binding site 3 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183


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-3-183 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:23.0
occ:1.00
 FAE A:ZRO401 0.0 23.0 1.0
CAW A:ZRO401 1.5 28.7 1.0
FAF A:ZRO401 2.2 32.4 1.0
FAG A:ZRO401 2.4 24.8 1.0
CAR A:ZRO401 2.4 18.5 1.0
CAK A:ZRO401 3.2 18.9 1.0
CAJ A:ZRO401 3.4 17.2 1.0
N A:GLY70 3.5 8.0 1.0
ND2 A:ASN53 3.5 11.0 1.0
C A:SER68 3.7 7.7 1.0
CA A:SER68 3.7 6.6 1.0
OAD A:ZRO401 3.7 9.8 1.0
O A:HOH661 3.7 35.5 1.0
O A:HOH511 3.8 17.4 1.0
CB A:SER68 3.8 8.5 1.0
O A:HOH507 3.8 11.6 1.0
CA A:GLY70 3.8 8.2 1.0
O A:SER68 3.9 7.2 1.0
N A:MET69 4.1 7.9 1.0
OG A:SER68 4.2 12.4 1.0
CD A:LYS214 4.3 15.5 1.0
CAI A:ZRO401 4.4 17.7 1.0
C A:MET69 4.5 8.2 1.0
CAH A:ZRO401 4.5 15.7 1.0
CG A:ASN53 4.8 12.7 1.0
CAP A:ZRO401 4.8 9.2 1.0
NZ A:LYS214 4.9 15.0 1.0
CA A:MET69 4.9 7.5 1.0

Fluorine binding site 4 out of 6 in 3w2m

Go back to Fluorine Binding Sites List in 3w2m
Fluorine binding site 4 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183


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-3-183 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:29.7
occ:1.00
 FAF B:ZRO401 0.0 29.7 1.0
CAW B:ZRO401 1.3 27.0 1.0
FAE B:ZRO401 2.2 25.9 1.0
FAG B:ZRO401 2.3 30.1 1.0
CAR B:ZRO401 2.4 22.0 1.0
CAK B:ZRO401 2.9 23.2 1.0
CD2 B:LEU101 3.2 38.5 1.0
CG B:PRO131 3.3 28.8 1.0
CA B:LEU101 3.3 24.6 1.0
N B:LEU101 3.5 20.9 1.0
CD B:PRO131 3.5 29.0 1.0
O B:SER99 3.5 13.2 1.0
CG B:LEU101 3.5 40.0 1.0
C B:GLY100 3.7 16.0 1.0
CAJ B:ZRO401 3.7 21.7 1.0
CB B:LEU101 3.7 33.1 1.0
O B:GLY100 3.8 17.6 1.0
CG2 B:THR46 3.9 15.6 1.0
CAI B:ZRO401 4.3 21.1 1.0
C B:SER99 4.5 12.8 1.0
CA B:GLY100 4.5 15.4 1.0
CB B:PRO131 4.7 29.5 1.0
CD2 B:LEU71 4.7 21.9 1.0
C B:LEU101 4.7 20.8 1.0
CAH B:ZRO401 4.9 21.7 1.0
N B:PRO131 4.9 26.2 1.0

Fluorine binding site 5 out of 6 in 3w2m

Go back to Fluorine Binding Sites List in 3w2m
Fluorine binding site 5 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183


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-3-183 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:30.1
occ:1.00
 FAG B:ZRO401 0.0 30.1 1.0
CAW B:ZRO401 1.4 27.0 1.0
FAE B:ZRO401 2.3 25.9 1.0
FAF B:ZRO401 2.3 29.7 1.0
CAR B:ZRO401 2.4 22.0 1.0
CAJ B:ZRO401 2.9 21.7 1.0
CD2 B:LEU101 3.2 38.5 1.0
CG B:PRO131 3.5 28.8 1.0
CAK B:ZRO401 3.7 23.2 1.0
NH1 B:ARG50 3.8 16.3 1.0
CZ B:ARG50 3.9 15.5 1.0
NH2 B:ARG50 4.0 14.6 1.0
CD B:PRO131 4.1 29.0 1.0
CAH B:ZRO401 4.3 21.7 1.0
CG B:LEU101 4.3 40.0 1.0
NE B:ARG50 4.6 11.9 1.0
CB B:PRO131 4.8 29.5 1.0
CB B:LEU101 4.8 33.1 1.0
CAI B:ZRO401 4.8 21.1 1.0
CA B:LEU101 4.9 24.6 1.0

Fluorine binding site 6 out of 6 in 3w2m

Go back to Fluorine Binding Sites List in 3w2m
Fluorine binding site 6 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-183


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-3-183 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:25.9
occ:1.00
 FAE B:ZRO401 0.0 25.9 1.0
CAW B:ZRO401 1.5 27.0 1.0
FAF B:ZRO401 2.2 29.7 1.0
FAG B:ZRO401 2.3 30.1 1.0
CAR B:ZRO401 2.4 22.0 1.0
CAJ B:ZRO401 3.2 21.7 1.0
CG2 B:THR46 3.2 15.6 1.0
CAK B:ZRO401 3.2 23.2 1.0
CD2 B:LEU71 3.3 21.9 1.0
NE B:ARG50 3.4 11.9 1.0
CZ B:ARG50 3.5 15.5 1.0
CD B:ARG50 3.5 12.6 1.0
NH1 B:ARG50 3.6 16.3 1.0
CD2 B:LEU101 3.7 38.5 1.0
CB B:LEU71 3.8 12.0 1.0
NH2 B:ARG50 4.0 14.6 1.0
CG B:LEU71 4.1 16.8 1.0
O B:SER99 4.2 13.2 1.0
CG B:LEU101 4.4 40.0 1.0
CAH B:ZRO401 4.4 21.7 1.0
CAI B:ZRO401 4.4 21.1 1.0
CB B:THR46 4.6 11.3 1.0
OG1 B:THR46 4.9 10.6 1.0
O B:HOH580 4.9 18.3 1.0
CAQ B:ZRO401 4.9 20.0 1.0
CG B:ARG50 5.0 12.7 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-3-183. To Be Published.
Page generated: Wed Jul 31 23:26:52 2024

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