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Iodine in PDB 8ov3: Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin

Enzymatic activity of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin

All present enzymatic activity of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin:
2.1.1.57;

Protein crystallography data

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin, PDB code: 8ov3 was solved by V.Kremling, J.Sprenger, D.Oberthuer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.21 / 1.82
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 167.01, 167.01, 51.4, 90, 90, 120
R / Rfree (%) 18.2 / 21.1

Other elements in 8ov3:

The structure of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine atom in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin (pdb code 8ov3). This binding sites where shown within 5.0 Angstroms radius around Iodine atom.
In total only one binding site of Iodine was determined in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin, PDB code: 8ov3:

Iodine binding site 1 out of 1 in 8ov3

Go back to Iodine Binding Sites List in 8ov3
Iodine binding site 1 out of 1 in the Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin


Mono view


Stereo pair view

A full contact list of Iodine with other atoms in the I binding site number 1 of Sars-Cov-2 NSP10-16 Methyltransferase in Complex with 5-Iodotubercidin within 5.0Å range:
probe atom residue distance (Å) B Occ
A:I7218

b:46.0
occ:1.00
 IAE A:5ID7218 0.0 46.0 1.0
C7 A:5ID7218 2.1 30.4 1.0
H6N2 A:5ID7218 2.9 37.4 1.0
HB2 A:ASP6931 3.0 37.4 1.0
HD2 A:PHE6947 3.1 29.8 1.0
C8 A:5ID7218 3.2 24.1 1.0
C5 A:5ID7218 3.2 28.2 1.0
O A:HOH7423 3.3 48.5 1.0
H8 A:5ID7218 3.4 28.9 1.0
N6 A:5ID7218 3.5 31.1 1.0
HE2 A:PHE6947 3.7 37.7 1.0
C6 A:5ID7218 3.8 34.3 1.0
HO2 A:EDO7202 3.9 56.4 1.0
CD2 A:PHE6947 3.9 24.8 1.0
O2 A:EDO7202 3.9 46.9 1.0
CB A:ASP6931 4.0 31.1 1.0
HD22 A:LEU6898 4.2 40.4 1.0
CE2 A:PHE6947 4.2 31.4 1.0
N9 A:5ID7218 4.3 26.3 1.0
C4 A:5ID7218 4.3 28.9 1.0
H6N1 A:5ID7218 4.4 37.4 1.0
OD2 A:ASP6931 4.4 40.9 1.0
CG A:ASP6931 4.5 36.8 1.0
HB3 A:ASP6931 4.5 37.4 1.0
HA A:ASP6931 4.6 37.1 1.0
O A:HOH7491 4.7 51.9 1.0
CA A:ASP6931 4.7 30.9 1.0
HB3 A:PHE6947 4.8 33.4 1.0
N A:ASP6931 4.9 27.2 1.0
O A:TYR6930 4.9 28.9 1.0
O1 A:EDO7202 4.9 41.2 1.0
O A:HOH7454 5.0 57.2 1.0

Reference:

V.Kremling, D.Oberthuer, S.Falke, O.Yefanov, M.Galchenkova, P.Middendorf, Y.Fernandez Garcia, C.Ehrt, A.Kiene, B.Klopprogge, H.Chapman, J.Sprenger. Crystal Structures of Tubercidin and Adenosine Bound to the Active Site of the Sars-Cov-2 Methyltransferase NSP10-16 To Be Published.
Page generated: Mon Aug 12 02:59:41 2024

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