Sodium 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
Strontium	(Sr)	2 atoms

The binding sites of Sodium 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 Sodium atom.
In total only one binding site of Sodium was determined in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with 2-Oxoglutarate, PDB code: 6tto:

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


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na 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:Na416 b:30.0 occ:1.00 O A:HOH771 2.2 47.0 1.0 O A:HOH719 2.2 38.6 1.0 O A:HOH699 2.3 26.5 1.0 OG A:SER204 2.5 22.3 1.0 OD1 A:ASN283 2.6 18.1 1.0 O A:HOH640 2.8 44.5 1.0 HD21 A:ASN283 2.8 22.9 1.0 H A:SER204 3.3 21.4 1.0 CG A:ASN283 3.3 17.0 1.0 ND2 A:ASN283 3.4 19.1 1.0 CB A:SER204 3.7 20.0 1.0 HB3 A:SER204 3.7 24.0 1.0 O A:HOH881 4.0 36.1 1.0 N A:SER204 4.0 17.9 1.0 HD22 A:ASN283 4.2 22.9 1.0 O A:HOH571 4.3 43.4 1.0 CA A:SER204 4.3 19.1 1.0 HB2 A:SER204 4.4 24.0 1.0 O A:HOH615 4.5 41.0 1.0 H A:ASN283 4.5 17.5 1.0 O A:SER204 4.5 21.1 1.0 O A:ILE281 4.6 20.6 1.0 CB A:ASN283 4.7 15.2 1.0 N A:ASN283 4.7 14.6 1.0 HA A:PRO203 4.7 19.1 1.0 O A:HOH717 4.8 26.0 1.0 C A:SER204 4.8 20.7 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