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

Protein crystallography data

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

Other elements in 6tto:

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

Strontium Binding Sites:

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 6tto

Go back to Strontium Binding Sites List in 6tto
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 6tto

Go back to Strontium Binding Sites List in 6tto
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

Reference:

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
Page generated: Wed Dec 16 02:25:15 2020

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