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Arsenic in PDB 3w87: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103, PDB code: 3w87 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) 36.98 / 1.43
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.934, 71.484, 129.646, 90.00, 90.00, 90.00
R / Rfree (%) 15.3 / 18.7

Other elements in 3w87:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103 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-1-103 (pdb code 3w87). 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-1-103, PDB code: 3w87:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 3w87

Go back to Arsenic Binding Sites List in 3w87
Arsenic binding site 1 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As415

b:21.8
occ:1.00
 AS A:CAC415 0.0 21.8 1.0
O1 A:CAC415 1.7 18.2 1.0
O2 A:CAC415 1.8 11.7 1.0
C2 A:CAC415 1.9 21.9 1.0
C1 A:CAC415 2.0 20.5 1.0
OD2 A:ASP28 3.6 6.8 1.0
O3 A:GOL408 3.7 29.5 1.0
O A:HOH795 3.8 24.1 1.0
O A:HOH793 3.9 18.8 1.0
OD1 A:ASP28 4.0 7.7 1.0
O A:HOH710 4.1 25.1 1.0
O A:HOH589 4.1 19.8 1.0
O A:HOH545 4.2 7.5 1.0
CG A:ASP28 4.2 7.0 1.0
C3 A:GOL408 4.5 31.3 1.0
O A:HOH575 4.7 12.8 1.0
O A:HOH860 4.9 30.0 1.0
O A:HOH752 4.9 25.4 1.0
O A:HOH625 4.9 14.0 1.0
O A:HOH603 4.9 16.4 1.0

Arsenic binding site 2 out of 4 in 3w87

Go back to Arsenic Binding Sites List in 3w87
Arsenic binding site 2 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As416

b:35.3
occ:1.00
 AS A:CAC416 0.0 35.3 1.0
O2 A:CAC416 1.7 44.3 1.0
O1 A:CAC416 1.8 33.2 1.0
C2 A:CAC416 1.9 40.5 1.0
C1 A:CAC416 2.0 43.3 1.0
O A:LYS296 3.8 13.1 1.0
O A:HOH828 4.1 43.4 1.0
O B:HOH618 4.1 21.6 1.0
O1 A:EDO427 4.4 52.6 1.0
O A:HOH831 4.8 65.9 1.0

Arsenic binding site 3 out of 4 in 3w87

Go back to Arsenic Binding Sites List in 3w87
Arsenic binding site 3 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As414

b:19.8
occ:1.00
 AS B:CAC414 0.0 19.8 1.0
O2 B:CAC414 1.7 16.6 1.0
O1 B:CAC414 1.7 10.6 1.0
C2 B:CAC414 1.9 19.2 1.0
C1 B:CAC414 2.0 16.1 1.0
OD2 B:ASP28 3.5 6.3 1.0
O1 B:GOL405 3.7 16.9 0.5
O B:HOH594 3.9 21.1 1.0
O B:HOH758 3.9 17.9 1.0
OD1 B:ASP28 3.9 8.4 1.0
O1 B:GOL405 4.0 36.2 0.5
C1 B:GOL405 4.1 28.6 0.5
O B:HOH542 4.2 7.8 1.0
CG B:ASP28 4.2 8.0 1.0
C1 B:GOL405 4.3 14.9 0.5
O B:HOH582 4.7 12.4 1.0
O B:HOH930 4.9 31.5 1.0

Arsenic binding site 4 out of 4 in 3w87

Go back to Arsenic Binding Sites List in 3w87
Arsenic binding site 4 out of 4 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As415

b:0.8
occ:1.00
 AS B:CAC415 0.0 0.8 1.0
O1 B:CAC415 1.7 0.1 1.0
O2 B:CAC415 1.7 0.3 1.0
C1 B:CAC415 2.0 0.4 1.0
C2 B:CAC415 2.0 0.6 1.0
O3 B:GOL409 3.7 32.1 1.0
O B:HOH925 4.0 37.4 1.0
C3 B:GOL407 4.3 37.8 1.0
O B:PRO241 4.4 15.3 1.0
C3 B:GOL409 4.4 35.7 1.0
O2 B:GOL409 4.4 43.2 1.0
O3 B:GOL407 4.5 33.6 1.0
C2 B:GOL409 5.0 35.7 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-1-103 To Be Published.
Page generated: Wed Jul 10 11:56:44 2024

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