Sodium in PDB 6ttn: N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine

The structure of N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine, PDB code: 6ttn 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)	43.78 / 1.12
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.894, 79.841, 104.701, 90.00, 90.00, 90.00
R / Rfree (%)	12.7 / 14.6

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

Nickel	(Ni)	1 atom
Strontium	(Sr)	1 atom

The binding sites of Sodium atom in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine (pdb code 6ttn). 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 N-Oxalylglycine and Hyoscyamine, PDB code: 6ttn:

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


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 N-Oxalylglycine and Hyoscyamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Na509 b:30.0 occ:1.00 HG A:SER204 2.3 26.1 1.0 O A:HOH927 2.3 45.4 1.0 OG A:SER204 2.3 21.7 1.0 O A:HOH829 2.5 29.3 1.0 O A:HOH887 2.5 41.7 1.0 OD1 A:ASN283 2.6 18.3 1.0 O A:HOH858 2.7 39.5 1.0 HD21 A:ASN283 2.9 23.1 1.0 H A:SER204 3.1 20.3 0.5 H A:SER204 3.1 20.3 0.5 CG A:ASN283 3.3 16.8 1.0 HB3 A:SER204 3.4 22.4 1.0 CB A:SER204 3.4 18.6 1.0 ND2 A:ASN283 3.4 19.2 1.0 N A:SER204 3.8 16.9 1.0 HB2 A:SER204 4.1 22.4 1.0 CA A:SER204 4.2 17.5 1.0 HD22 A:ASN283 4.3 23.1 1.0 O A:SER204 4.5 21.0 1.0 O A:HOH679 4.5 38.5 1.0 O A:ILE281 4.6 19.4 1.0 HA A:PRO203 4.6 20.6 0.5 HA A:PRO203 4.6 19.9 0.5 C A:SER204 4.7 19.1 1.0 H A:ASN283 4.7 16.9 0.5 O A:HOH696 4.7 38.1 1.0 CB A:ASN283 4.8 14.6 1.0 O A:HOH759 4.8 36.3 1.0 H A:ASN283 4.8 16.9 0.5 N A:ASN283 4.8 14.1 1.0 C A:PRO203 4.9 16.8 0.5 C A:PRO203 4.9 16.9 0.5 HA A:ASN283 5.0 16.6 1.0 HB3 A:PRO203 5.0 21.5 0.5

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