Cobalt in PDB 3w87: 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;

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

The structure of Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103 also contains other interesting chemical elements:

Arsenic

(As)

4 atoms

The binding sites of Cobalt 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 Cobalt atom.
In total 3 binding sites of Cobalt where determined in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103, PDB code: 3w87:
Jump to Cobalt binding site number: 1; 2; 3;

Cobalt binding site 1 out of 3 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co434 b:7.2 occ:1.00 CO A:NCO434 0.0 7.2 1.0 N1 A:NCO434 2.1 14.4 1.0 N6 A:NCO434 2.1 14.8 1.0 N2 A:NCO434 2.1 15.1 1.0 N4 A:NCO434 2.1 16.2 1.0 N3 A:NCO434 2.2 18.5 1.0 N5 A:NCO434 2.2 19.4 1.0 O A:GLN275 3.8 6.2 1.0 O A:HOH655 4.0 16.4 1.0 O A:GLU276 4.1 6.8 1.0 O A:HOH667 4.2 22.5 1.0 O A:HOH712 4.3 31.4 1.0 O A:HOH670 4.3 20.7 1.0 O A:HOH551 4.4 13.7 1.0 O A:HOH626 4.4 17.8 1.0 O A:HOH709 4.4 18.6 1.0 C A:GLU276 4.8 4.5 1.0

Cobalt binding site 2 out of 3 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co435 b:16.7 occ:0.50 CO A:NCO435 0.0 16.7 0.5 N4 A:NCO435 1.5 29.9 0.5 N4 A:NCO435 2.0 27.0 0.5 N1 A:NCO435 2.0 29.2 0.5 N2 A:NCO435 2.0 26.1 0.5 N3 A:NCO435 2.0 23.7 0.5 N6 A:NCO435 2.1 27.9 0.5 N5 A:NCO435 2.1 28.1 0.5 N5 A:NCO435 2.9 25.7 0.5 N1 A:NCO435 3.2 27.8 0.5 CO A:NCO435 3.3 14.9 0.5 OE1 A:GLU205 3.9 10.2 0.5 OD1 A:ASP203 4.3 13.4 1.0 OD2 A:ASP203 4.4 11.5 1.0 N3 A:NCO435 4.5 25.1 0.5 N6 A:NCO435 4.6 30.5 0.5 CG A:ASP203 4.7 9.8 1.0 O A:HOH740 5.0 26.9 1.0

Cobalt binding site 3 out of 3 in the Structure of Trypanosoma Cruzi Dihydroorotate Dehydrogenase in Complex with Sh-1-103


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-1-103 within 5.0Å range: probe atom residue distance (Å) B Occ A:Co435 b:14.9 occ:0.50 CO A:NCO435 0.0 14.9 0.5 N3 A:NCO435 1.2 23.7 0.5 N3 A:NCO435 2.0 25.1 0.5 N2 A:NCO435 2.0 27.9 0.5 N5 A:NCO435 2.1 25.7 0.5 N4 A:NCO435 2.1 29.9 0.5 N1 A:NCO435 2.1 27.8 0.5 N6 A:NCO435 2.1 30.5 0.5 CO A:NCO435 3.3 16.7 0.5 N2 A:NCO435 3.5 26.1 0.5 N6 A:NCO435 3.6 27.9 0.5 O A:HOH742 4.0 22.6 0.5 N4 A:NCO435 4.1 27.0 0.5 N5 A:NCO435 4.1 28.1 0.5 O A:HOH741 4.3 27.4 1.0 OE1 A:GLU205 4.9 10.2 0.5

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.