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Arsenic in PDB 3w88: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200, PDB code: 3w88 was solved by D.K.Inaoka, S.Hashimoto, J.R.Rocha, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Kuranaga, T.Shiba, E.O.Balogun, K.Sakamoto, S.Suzuki, C.A.Montanari, 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) 36.96 / 1.40
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.974, 71.518, 129.537, 90.00, 90.00, 90.00
R / Rfree (%) 13.9 / 16.6

Other elements in 3w88:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 also contains other interesting chemical elements:

Cobalt (Co) 3 atoms

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 (pdb code 3w88). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200, PDB code: 3w88:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 3w88

Go back to Arsenic Binding Sites List in 3w88
Arsenic binding site 1 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As415

b:22.9
occ:1.00
 AS A:CAC415 0.0 22.9 1.0
O2 A:CAC415 1.8 11.6 1.0
O1 A:CAC415 1.8 17.1 1.0
C2 A:CAC415 2.0 21.3 1.0
C1 A:CAC415 2.1 18.9 1.0
OD2 A:ASP28 3.6 6.8 1.0
O3 A:GOL409 3.7 30.6 1.0
O A:HOH784 3.8 26.3 1.0
OD1 A:ASP28 3.9 7.6 1.0
O A:HOH782 3.9 20.6 1.0
O A:HOH590 4.1 19.3 1.0
O A:HOH707 4.1 23.1 1.0
CG A:ASP28 4.2 6.6 1.0
O A:HOH544 4.2 7.3 1.0
C3 A:GOL409 4.4 31.4 1.0
O A:HOH574 4.7 11.8 1.0
O A:HOH848 4.9 27.5 1.0
O A:HOH604 4.9 17.5 1.0
O A:HOH744 5.0 27.4 1.0
O A:HOH625 5.0 15.0 1.0

Arsenic binding site 2 out of 4 in 3w88

Go back to Arsenic Binding Sites List in 3w88
Arsenic binding site 2 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As416

b:34.7
occ:1.00
 AS A:CAC416 0.0 34.7 1.0
O2 A:CAC416 1.8 39.2 1.0
O1 A:CAC416 1.9 30.1 1.0
C1 A:CAC416 2.0 43.6 1.0
C2 A:CAC416 2.0 36.9 1.0
C1 A:EDO427 3.8 52.4 1.0
O A:LYS296 3.9 13.5 1.0
O B:HOH616 4.1 21.2 1.0
O A:HOH819 4.1 48.8 1.0
O1 A:EDO427 4.3 58.4 1.0

Arsenic binding site 3 out of 4 in 3w88

Go back to Arsenic Binding Sites List in 3w88
Arsenic binding site 3 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As413

b:20.6
occ:1.00
 AS B:CAC413 0.0 20.6 1.0
O2 B:CAC413 1.8 16.6 1.0
O1 B:CAC413 1.8 12.2 1.0
C1 B:CAC413 2.0 17.7 1.0
C2 B:CAC413 2.1 18.8 1.0
OD2 B:ASP28 3.6 6.0 1.0
O1 B:GOL404 3.6 16.7 0.5
O B:HOH754 3.9 17.1 1.0
O B:HOH593 3.9 19.4 1.0
OD1 B:ASP28 3.9 7.3 1.0
O B:HOH542 4.2 7.0 1.0
O1 B:GOL404 4.2 28.8 0.5
CG B:ASP28 4.2 6.4 1.0
C1 B:GOL404 4.2 27.1 0.5
C1 B:GOL404 4.4 18.3 0.5
O B:HOH582 4.7 12.4 1.0
O B:HOH621 4.9 19.6 1.0
O B:HOH912 4.9 33.0 1.0
O B:HOH755 4.9 25.8 1.0
O B:HOH579 5.0 14.5 1.0

Arsenic binding site 4 out of 4 in 3w88

Go back to Arsenic Binding Sites List in 3w88
Arsenic binding site 4 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As414

b:0.9
occ:1.00
 AS B:CAC414 0.0 0.9 1.0
O1 B:CAC414 1.7 0.9 1.0
O2 B:CAC414 1.7 0.5 1.0
C1 B:CAC414 2.0 0.3 1.0
C2 B:CAC414 2.0 0.3 1.0
O3 B:GOL408 3.6 34.0 1.0
O B:HOH907 3.8 43.0 1.0
C3 B:GOL406 4.1 40.3 1.0
O B:PRO241 4.2 16.4 1.0
O3 B:GOL406 4.3 36.6 1.0
C3 B:GOL408 4.4 38.8 1.0
O2 B:GOL408 4.6 47.5 1.0

Reference:

D.K.Inaoka, S.Hashimoto, J.R.Rocha, M.Iida, T.Tabuchi, N.Lee, S.Matsuoka, T.Kuranaga, T.Shiba, E.O.Balogun, K.Sakamoto, S.Suzuki, C.A.Montanari, T.Nara, T.Aoki, M.Inoue, T.Honma, A.Tanaka, S.Harada, K.Kita. Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-200 To Be Published.
Page generated: Wed Jul 10 11:56:46 2024

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