Strontium 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
Sodium	(Na)	1 atom

The binding sites of Strontium 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 Strontium atom.
In total only one binding site of Strontium was determined in the N-Terminally Truncated Hyoscyamine 6-Hydroxylase (TH6H) in Complex with N-Oxalylglycine and Hyoscyamine, PDB code: 6ttn:

Strontium 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 Strontium with other atoms in the Sr 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:Sr507 b:10.8 occ:0.89 O A:HOH708 2.6 15.5 1.0 O A:GLY67 2.6 10.4 1.0 O A:HOH702 2.6 16.6 1.0 C A:GLY67 3.7 9.3 1.0 HA2 A:GLY67 3.8 11.6 1.0 HD3 A:PRO69 3.9 12.8 1.0 HG3 A:PRO69 4.1 14.0 1.0 HA3 A:GLY67 4.1 11.6 1.0 CA A:GLY67 4.1 9.7 1.0 O A:HOH629 4.5 26.0 1.0 OE1 A:GLU164 4.6 14.9 1.0 HA A:VAL68 4.7 11.3 1.0 CD A:PRO69 4.7 10.7 1.0 O A:HOH612 4.7 38.7 1.0 HZ1 A:LYS167 4.7 30.1 0.6 OE2 A:GLU164 4.7 18.2 1.0 N A:VAL68 4.8 9.3 1.0 CG A:PRO69 4.8 11.7 1.0 O A:HOH991 4.9 28.1 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