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Cobalt in PDB 3w86: Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96

Enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96

All present enzymatic activity of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96:
1.3.98.1;

Protein crystallography data

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96, PDB code: 3w86 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) 31.64 / 1.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.893, 71.508, 129.586, 90.00, 90.00, 90.00
R / Rfree (%) 14.3 / 18.4

Other elements in 3w86:

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96 also contains other interesting chemical elements:

Arsenic (As) 2 atoms

Cobalt Binding Sites:

The binding sites of Cobalt atom in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96 (pdb code 3w86). This binding sites where shown within 5.0 Angstroms radius around Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96, PDB code: 3w86:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in 3w86

Go back to Cobalt Binding Sites List in 3w86
Cobalt binding site 1 out of 3 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 1 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co427

b:12.6
occ:1.00
CO A:NCO427 0.0 12.6 1.0
N4 A:NCO427 2.0 12.2 1.0
N6 A:NCO427 2.0 11.5 1.0
N1 A:NCO427 2.0 11.4 1.0
N2 A:NCO427 2.0 11.8 1.0
N3 A:NCO427 2.0 14.5 1.0
N5 A:NCO427 2.0 15.0 1.0
O A:GLN275 3.8 10.9 1.0
O A:HOH666 3.9 19.6 1.0
O A:GLU276 4.1 11.2 1.0
O A:HOH679 4.3 25.6 1.0
O A:HOH682 4.3 21.9 1.0
O A:HOH725 4.3 32.3 1.0
O A:HOH633 4.3 22.5 1.0
O A:HOH555 4.4 18.0 1.0
O A:HOH722 4.4 23.9 1.0
C A:GLU276 4.8 10.6 1.0

Cobalt binding site 2 out of 3 in 3w86

Go back to Cobalt Binding Sites List in 3w86
Cobalt binding site 2 out of 3 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 2 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co428

b:21.6
occ:0.50
CO A:NCO428 0.0 21.6 0.5
N1 A:NCO428 2.0 23.4 0.5
N2 A:NCO428 2.0 20.9 0.5
N3 A:NCO428 2.0 23.1 0.5
N5 A:NCO428 2.0 22.0 0.5
N4 A:NCO428 2.0 20.5 0.5
N6 A:NCO428 2.0 22.1 0.5
N1 A:NCO428 2.3 23.6 0.5
N4 A:NCO428 2.4 20.8 0.5
N5 A:NCO428 3.2 21.4 0.5
CO A:NCO428 3.3 20.2 0.5
OE1 A:GLU205 4.0 14.7 0.5
N3 A:NCO428 4.3 22.2 0.5
OD1 A:ASP203 4.3 17.0 1.0
OD2 A:ASP203 4.4 16.2 1.0
CG A:ASP203 4.7 13.8 1.0
N6 A:NCO428 4.8 22.5 0.5
N2 A:NCO428 4.9 20.6 0.5

Cobalt binding site 3 out of 3 in 3w86

Go back to Cobalt Binding Sites List in 3w86
Cobalt binding site 3 out of 3 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96


Mono view


Stereo pair view

A full contact list of Cobalt with other atoms in the Co binding site number 3 of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-96 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Co428

b:20.2
occ:0.50
CO A:NCO428 0.0 20.2 0.5
N1 A:NCO428 2.0 23.6 0.5
N3 A:NCO428 2.0 22.2 0.5
N6 A:NCO428 2.0 22.5 0.5
N4 A:NCO428 2.0 20.8 0.5
N5 A:NCO428 2.0 21.4 0.5
N2 A:NCO428 2.0 20.6 0.5
N3 A:NCO428 2.2 23.1 0.5
N2 A:NCO428 2.5 20.9 0.5
N4 A:NCO428 3.2 20.5 0.5
CO A:NCO428 3.3 21.6 0.5
O A:HOH763 4.3 29.3 1.0
N6 A:NCO428 4.3 22.1 0.5
O A:HOH764 4.3 28.6 0.5
N1 A:NCO428 4.8 23.4 0.5
N5 A:NCO428 4.9 22.0 0.5

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-1-96 To Be Published.
Page generated: Sun Dec 13 10:43:29 2020

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