Atomistry » Arsenic » PDB 3sr6-4cx0 » 3w87
Atomistry »
  Arsenic »
    PDB 3sr6-4cx0 »
      3w87 »

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: Sat Dec 12 01:42:09 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy