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Fluorine in PDB 3w2j: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135, PDB code: 3w2j 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) 46.87 / 1.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 68.097, 71.817, 129.201, 90.00, 90.00, 90.00
R / Rfree (%) 14.2 / 16.8

Other elements in 3w2j:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135 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-3-135 (pdb code 3w2j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135, PDB code: 3w2j:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 3w2j

Go back to Fluorine Binding Sites List in 3w2j
Fluorine binding site 1 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135


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-3-135 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:23.2
occ:1.00
 FAF A:QRO401 0.0 23.2 1.0
CAQ A:QRO401 1.4 18.5 1.0
CAP A:QRO401 2.4 21.8 1.0
CAI A:QRO401 2.4 18.4 1.0
FAE A:QRO401 2.7 21.5 1.0
O A:HOH563 2.7 29.8 1.0
O A:HOH508 3.2 10.9 1.0
O A:HOH512 3.2 16.6 1.0
O1 A:GOL405 3.4 24.9 1.0
O A:HOH532 3.5 10.9 1.0
C1 A:GOL405 3.5 22.2 1.0
CAH A:QRO401 3.6 21.9 1.0
C2 A:GOL405 3.7 27.4 1.0
CAO A:QRO401 3.7 17.3 1.0
O2 A:GOL405 3.9 29.0 1.0
CAG A:QRO401 4.2 20.6 1.0
NZ A:LYS214 4.2 12.6 1.0
O A:HOH684 4.7 14.4 1.0
OAA A:QRO401 4.8 12.8 1.0
O A:HOH610 4.9 25.7 1.0
CAJ A:QRO401 4.9 13.1 1.0

Fluorine binding site 2 out of 4 in 3w2j

Go back to Fluorine Binding Sites List in 3w2j
Fluorine binding site 2 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135


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-3-135 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F401

b:21.5
occ:1.00
 FAE A:QRO401 0.0 21.5 1.0
CAP A:QRO401 1.4 21.8 1.0
CAQ A:QRO401 2.4 18.5 1.0
CAH A:QRO401 2.4 21.9 1.0
FAF A:QRO401 2.7 23.2 1.0
O A:HOH684 3.2 14.4 1.0
O A:HOH508 3.3 10.9 1.0
NZ A:LYS214 3.4 12.6 1.0
O A:HOH672 3.5 17.7 1.0
O A:HOH610 3.5 25.7 1.0
CAI A:QRO401 3.7 18.4 1.0
CAG A:QRO401 3.8 20.6 1.0
O A:HOH563 3.8 29.8 1.0
CD A:LYS214 4.0 11.9 1.0
O A:HOH512 4.3 16.6 1.0
CAO A:QRO401 4.3 17.3 1.0
CE A:LYS214 4.4 12.1 1.0
CG A:PRO131 4.6 31.2 1.0
OAA A:QRO401 4.8 12.8 1.0

Fluorine binding site 3 out of 4 in 3w2j

Go back to Fluorine Binding Sites List in 3w2j
Fluorine binding site 3 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135


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-3-135 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:36.8
occ:1.00
 FAF B:QRO401 0.0 36.8 1.0
CAQ B:QRO401 1.3 22.0 1.0
CAP B:QRO401 2.3 23.3 1.0
CAI B:QRO401 2.4 18.5 1.0
FAE B:QRO401 2.7 24.7 1.0
C3 B:GOL403 2.7 35.3 1.0
O B:HOH834 2.9 29.9 1.0
C2 B:GOL403 3.3 25.0 1.0
O3 B:GOL403 3.3 31.6 1.0
CAH B:QRO401 3.6 20.8 1.0
O B:HOH817 3.6 15.5 1.0
O B:HOH516 3.7 13.0 1.0
CAO B:QRO401 3.7 14.8 1.0
O2 B:GOL403 3.7 21.6 1.0
O B:HOH514 3.7 11.4 1.0
O B:CYS130 4.0 18.0 1.0
CAG B:QRO401 4.1 19.6 1.0
NZ B:LYS214 4.6 15.1 1.0
C B:CYS130 4.7 18.9 1.0
C1 B:GOL403 4.7 22.4 1.0
CAJ B:QRO401 4.8 11.7 1.0
O B:HOH589 4.9 37.4 1.0
O B:HOH874 4.9 21.6 1.0
OE1 B:GLN138 4.9 26.0 1.0

Fluorine binding site 4 out of 4 in 3w2j

Go back to Fluorine Binding Sites List in 3w2j
Fluorine binding site 4 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Mii-3-135


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-3-135 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F401

b:24.7
occ:1.00
 FAE B:QRO401 0.0 24.7 1.0
CAP B:QRO401 1.4 23.3 1.0
CAQ B:QRO401 2.4 22.0 1.0
CAH B:QRO401 2.4 20.8 1.0
FAF B:QRO401 2.7 36.8 1.0
O B:HOH874 3.0 21.6 1.0
O B:HOH641 3.2 32.6 1.0
O B:HOH516 3.3 13.0 1.0
NZ B:LYS214 3.5 15.1 1.0
O B:HOH589 3.5 37.4 1.0
O B:HOH833 3.6 16.2 1.0
CAI B:QRO401 3.7 18.5 1.0
CAG B:QRO401 3.7 19.6 1.0
O B:HOH834 3.8 29.9 1.0
O B:HOH817 3.9 15.5 1.0
CA B:PRO131 4.1 18.5 1.0
CD B:LYS214 4.2 15.1 1.0
CAO B:QRO401 4.3 14.8 1.0
O B:CYS130 4.3 18.0 1.0
CE B:LYS214 4.5 14.8 1.0
N B:PRO131 4.7 17.1 1.0
N B:ASN132 4.7 21.3 1.0
C B:CYS130 4.7 18.9 1.0
OAD B:QRO401 4.8 11.6 1.0
CB B:PRO131 4.8 20.6 1.0
C B:PRO131 4.9 21.6 1.0
O B:HOH514 4.9 11.4 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-3-135 To Be Published.
Page generated: Wed Jul 31 23:26:01 2024

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