Strontium in PDB 6tto: N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate

The structure of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate, PDB code: 6tto was solved by A.Kluza, B.Mrugala, P.J.Porebski, K.Kurpiewska, E.Niedzialkowska, M.S.Weiss, T.Borowski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.70 / 1.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.896, 79.808, 104.437, 90.00, 90.00, 90.00
R / Rfree (%)	13.7 / 16.4

The structure of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Sodium	(Na)	1 atom

The binding sites of Strontium atom in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate (pdb code 6tto). This binding sites where shown within 5.0 Angstroms radius around Strontium atom.
In total 2 binding sites of Strontium where determined in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate, PDB code: 6tto:
Jump to Strontium binding site number: 1; 2;

Strontium binding site 1 out of 2 in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 1 of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr414 b:14.1 occ:1.00 O A:GLY98 2.5 12.4 1.0 O A:HOH754 2.6 20.2 1.0 OE1 A:GLN95 2.6 16.0 1.0 OE2 A:GLU92 2.6 15.5 1.0 O A:HOH741 2.6 21.3 1.0 O A:HOH775 2.6 20.6 1.0 OE1 A:GLU92 2.7 14.2 1.0 CD A:GLU92 3.0 14.6 1.0 CD A:GLN95 3.6 15.8 1.0 C A:GLY98 3.6 12.4 1.0 HE22 A:GLN95 3.7 23.9 1.0 HA A:GLU99 3.7 16.8 1.0 NE2 A:GLN95 4.0 19.9 1.0 HA2 A:GLY98 4.1 14.7 1.0 CA A:GLY98 4.4 12.2 1.0 HD3 A:PRO100 4.4 20.2 1.0 N A:GLU99 4.5 13.0 1.0 CA A:GLU99 4.5 14.0 1.0 HA3 A:GLY98 4.5 14.7 1.0 HB3 A:GLN95 4.5 15.5 1.0 CG A:GLU92 4.6 14.3 1.0 HB2 A:GLN95 4.6 15.5 1.0 O A:HOH559 4.8 13.3 1.0 CG A:GLN95 4.8 13.5 1.0 HE21 A:GLN95 4.8 23.9 1.0 CB A:GLN95 4.9 12.9 1.0 O A:HOH726 4.9 31.4 1.0 HA A:GLU92 4.9 15.4 1.0 HG2 A:GLU92 4.9 17.2 1.0 O A:HOH852 4.9 44.1 1.0 HG3 A:GLU92 4.9 17.2 1.0 O A:HOH584 4.9 64.1 1.0

Strontium binding site 2 out of 2 in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate


Mono view


Stereo pair view

A full contact list of Strontium with other atoms in the Sr binding site number 2 of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate within 5.0Å range: probe atom residue distance (Å) B Occ A:Sr415 b:20.5 occ:0.43 OD1 A:ASP240 2.4 46.8 1.0 O A:HOH783 2.5 42.4 1.0 O A:HOH779 2.6 28.3 1.0 O A:HOH790 2.7 40.8 1.0 O A:ASP240 2.7 31.0 1.0 O A:HOH801 2.7 35.3 1.0 CG A:ASP240 3.2 42.4 1.0 HA A:ASP240 3.4 38.1 1.0 C A:ASP240 3.5 30.2 1.0 CA A:ASP240 3.8 31.8 1.0 OD2 A:ASP240 3.9 46.1 1.0 CB A:ASP240 4.1 35.5 1.0 O A:HOH652 4.2 41.4 1.0 HB3 A:ASP241 4.3 40.9 1.0 HB2 A:LYS242 4.5 26.7 1.0 HB3 A:ASP240 4.6 42.6 1.0 N A:ASP241 4.7 29.0 1.0 HB2 A:ASP240 4.8 42.6 1.0

A.Kluza, Z.Wojdyla, B.Mrugala, K.Kurpiewska, P.J.Porebski, E.Niedzialkowska, W.Minor, M.S.Weiss, T.Borowski. Regioselectivity of Hyoscyamine 6 Beta-Hydroxylase-Catalysed Hydroxylation As Revealed By High-Resolution Structural Information and Qm/Mm Calculations Dalton Trans 2020.
ISSN: ESSN 1477-9234
DOI: 10.1039/D0DT00302F