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Fluorine in PDB 3w74: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139, PDB code: 3w74 was solved by D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Hashimoto, S.Matsuoka, T.Kuranaga, 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) 39.27 / 1.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.907, 71.451, 130.293, 90.00, 90.00, 90.00
R / Rfree (%) 17.2 / 22.8

Other elements in 3w74:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139 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-4-139 (pdb code 3w74). 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-4-139, PDB code: 3w74:
Jump to Fluorine binding site number: 1; 2; 3; 4; 5; 6;

Fluorine binding site 1 out of 6 in 3w74

Go back to Fluorine Binding Sites List in 3w74
Fluorine binding site 1 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139


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-4-139 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:36.6
occ:1.00
 FAW A:W74401 0.0 36.6 1.0
CAU A:W74401 1.3 37.0 1.0
FAV A:W74401 2.1 39.7 1.0
OAT A:W74401 2.2 36.9 1.0
FAX A:W74401 2.2 32.5 1.0
CAQ A:W74401 2.9 38.1 1.0
CAR A:W74401 3.0 34.5 1.0
ND2 A:ASN53 3.2 24.3 1.0
CA A:GLY70 3.3 17.8 1.0
O A:HOH501 3.4 44.3 1.0
N A:GLY70 3.8 17.8 1.0
CAP A:W74401 4.1 37.3 1.0
CG A:ASN53 4.2 25.3 1.0
CAS A:W74401 4.3 30.3 1.0
OD1 A:ASN53 4.4 26.9 1.0
C A:GLY70 4.5 19.5 1.0
OAK A:W74401 4.7 20.2 1.0
C A:MET69 4.8 20.1 1.0
CD A:LYS214 4.9 27.2 1.0
O A:HOH526 4.9 28.2 1.0
O A:SER68 4.9 19.0 1.0
C A:SER68 5.0 18.4 1.0

Fluorine binding site 2 out of 6 in 3w74

Go back to Fluorine Binding Sites List in 3w74
Fluorine binding site 2 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139


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-4-139 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:32.5
occ:1.00
 FAX A:W74401 0.0 32.5 1.0
CAU A:W74401 1.4 37.0 1.0
FAW A:W74401 2.2 36.6 1.0
FAV A:W74401 2.2 39.7 1.0
OAT A:W74401 2.3 36.9 1.0
CAQ A:W74401 2.7 38.1 1.0
O A:HOH526 2.8 28.2 1.0
CAP A:W74401 3.2 37.3 1.0
O A:HOH573 3.3 26.8 1.0
OAK A:W74401 3.5 20.2 1.0
CAR A:W74401 3.5 34.5 1.0
CA A:SER68 3.6 20.1 1.0
N A:GLY70 3.7 17.8 1.0
CB A:SER68 3.7 23.4 1.0
C A:SER68 3.8 18.4 1.0
ND2 A:ASN53 4.0 24.3 1.0
CA A:GLY70 4.0 17.8 1.0
N A:MET69 4.1 18.1 1.0
OG A:SER68 4.2 35.3 1.0
O A:SER68 4.2 19.0 1.0
CAO A:W74401 4.3 29.3 1.0
CAS A:W74401 4.5 30.3 1.0
CAI A:W74401 4.6 23.2 1.0
C A:MET69 4.6 20.1 1.0
CD A:LYS214 4.7 27.2 1.0
CAN A:W74401 4.8 27.2 1.0
CA A:MET69 5.0 18.8 1.0
N A:SER68 5.0 16.8 1.0

Fluorine binding site 3 out of 6 in 3w74

Go back to Fluorine Binding Sites List in 3w74
Fluorine binding site 3 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139


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-4-139 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:39.7
occ:1.00
 FAV A:W74401 0.0 39.7 1.0
CAU A:W74401 1.3 37.0 1.0
FAW A:W74401 2.1 36.6 1.0
OAT A:W74401 2.2 36.9 1.0
FAX A:W74401 2.2 32.5 1.0
CD A:LYS214 2.9 27.2 1.0
CAQ A:W74401 3.5 38.1 1.0
ND2 A:ASN53 3.7 24.3 1.0
NZ A:LYS214 3.9 29.4 1.0
CG A:LYS214 3.9 25.3 1.0
O A:HOH573 3.9 26.8 1.0
CE A:LYS214 4.0 28.4 1.0
CB A:SER68 4.1 23.4 1.0
O A:HOH646 4.2 38.2 1.0
CAP A:W74401 4.3 37.3 1.0
CAR A:W74401 4.4 34.5 1.0
OG A:SER68 4.4 35.3 1.0
O A:HOH526 4.7 28.2 1.0
CA A:SER68 4.8 20.1 1.0
CG A:ASN53 4.9 25.3 1.0

Fluorine binding site 4 out of 6 in 3w74

Go back to Fluorine Binding Sites List in 3w74
Fluorine binding site 4 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139


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-4-139 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:50.8
occ:1.00
 FAW B:W74401 0.0 50.8 1.0
CAU B:W74401 1.5 58.0 1.0
FAV B:W74401 2.2 64.4 1.0
FAX B:W74401 2.5 55.4 1.0
OAT B:W74401 2.5 52.0 1.0
ND2 B:ASN53 3.2 25.6 1.0
CAQ B:W74401 3.3 50.3 1.0
CAR B:W74401 3.4 38.6 1.0
CA B:GLY70 3.8 19.3 1.0
CG B:ASN53 4.1 28.4 1.0
OG B:SER68 4.1 33.3 1.0
OD1 B:ASN53 4.1 26.4 1.0
N B:GLY70 4.3 17.7 1.0
CD B:LYS214 4.5 28.7 1.0
CAP B:W74401 4.7 46.4 1.0
CB B:PRO131 4.7 88.0 1.0
CAS B:W74401 4.8 36.5 1.0
C B:GLY70 4.9 20.6 1.0
CG B:PRO131 4.9 84.4 1.0

Fluorine binding site 5 out of 6 in 3w74

Go back to Fluorine Binding Sites List in 3w74
Fluorine binding site 5 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139


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-4-139 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:55.4
occ:1.00
 FAX B:W74401 0.0 55.4 1.0
CAU B:W74401 1.5 58.0 1.0
FAV B:W74401 2.2 64.4 1.0
OAT B:W74401 2.4 52.0 1.0
FAW B:W74401 2.5 50.8 1.0
CAQ B:W74401 2.8 50.3 1.0
O B:HOH573 3.1 33.8 1.0
OG B:SER68 3.2 33.3 1.0
CAR B:W74401 3.2 38.6 1.0
N B:GLY70 3.5 17.7 1.0
OAK B:W74401 3.5 22.4 1.0
CAP B:W74401 3.6 46.4 1.0
O B:HOH575 3.6 27.7 1.0
CA B:SER68 3.7 20.6 1.0
ND2 B:ASN53 3.7 25.6 1.0
C B:SER68 3.7 20.5 1.0
CA B:GLY70 3.9 19.3 1.0
CB B:SER68 4.0 26.6 1.0
N B:MET69 4.0 18.9 1.0
O B:SER68 4.1 19.8 1.0
CAS B:W74401 4.3 36.5 1.0
C B:MET69 4.5 16.6 1.0
CAI B:W74401 4.5 24.6 1.0
CAO B:W74401 4.6 41.6 1.0
CD B:LYS214 4.7 28.7 1.0
CA B:MET69 4.9 17.2 1.0
CAN B:W74401 4.9 33.4 1.0
CG B:ASN53 4.9 28.4 1.0

Fluorine binding site 6 out of 6 in 3w74

Go back to Fluorine Binding Sites List in 3w74
Fluorine binding site 6 out of 6 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-4-139


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-4-139 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:64.4
occ:1.00
 FAV B:W74401 0.0 64.4 1.0
CAU B:W74401 1.2 58.0 1.0
OAT B:W74401 2.1 52.0 1.0
FAX B:W74401 2.2 55.4 1.0
FAW B:W74401 2.2 50.8 1.0
CD B:LYS214 2.8 28.7 1.0
OG B:SER68 3.2 33.3 1.0
NZ B:LYS214 3.3 31.2 1.0
CAQ B:W74401 3.4 50.3 1.0
O B:HOH575 3.5 27.7 1.0
CE B:LYS214 3.7 30.8 1.0
CG B:LYS214 3.9 24.8 1.0
O B:HOH582 4.0 33.9 1.0
ND2 B:ASN53 4.1 25.6 1.0
CAR B:W74401 4.2 38.6 1.0
CAP B:W74401 4.2 46.4 1.0
CB B:SER68 4.3 26.6 1.0
O B:HOH573 4.5 33.8 1.0
CA B:SER68 4.8 20.6 1.0

Reference:

D.K.Inaoka, M.Iida, T.Tabuchi, N.Lee, S.Hashimoto, S.Matsuoka, T.Kuranaga, 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-4-139 To Be Published.
Page generated: Wed Jul 31 23:30:04 2024

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