Magnesium in PDB 7w5h: The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp

All present enzymatic activity of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp:
4.2.3.104; 4.2.3.137; 4.2.3.157; 4.2.3.182; 4.2.3.57;

The structure of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp, PDB code: 7w5h was solved by C.Chen, T.Wang, Y.Yang, L.Zhang, T.Ko, J.Huang, R.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.23 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.559, 98.567, 72.355, 90, 94.59, 90
R / Rfree (%)	20.2 / 24.6

The binding sites of Magnesium atom in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp (pdb code 7w5h). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp, PDB code: 7w5h:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg404 b:21.3 occ:1.00 O1A A:FPS401 2.3 18.9 1.0 OE2 A:GLU284 2.3 18.5 1.0 O A:HOH603 2.3 24.6 1.0 OG A:SER280 2.5 19.7 1.0 OD1 A:ASN276 2.6 23.4 1.0 O A:HOH508 2.7 22.6 1.0 CD A:GLU284 3.2 24.1 1.0 CB A:SER280 3.4 20.3 1.0 CG A:ASN276 3.4 18.5 1.0 OE1 A:GLU284 3.4 21.5 1.0 ND2 A:ASN276 3.6 17.8 1.0 PA A:FPS401 3.6 21.3 1.0 NH2 A:ARG230 3.8 12.3 1.0 O1B A:FPS401 3.8 34.4 1.0 O2B A:FPS401 3.9 35.2 1.0 O A:ASN276 4.1 17.2 1.0 NH1 A:ARG230 4.2 20.1 1.0 CZ A:ARG230 4.2 24.7 1.0 PB A:FPS401 4.3 34.7 1.0 S1 A:FPS401 4.3 29.5 1.0 O3A A:FPS401 4.4 22.2 1.0 CG A:GLU284 4.6 28.1 1.0 C A:ASN276 4.6 18.7 1.0 O2A A:FPS401 4.7 24.7 1.0 CA A:SER280 4.8 15.2 1.0 CB A:ASN276 4.8 15.3 1.0 ND2 A:ASN292 4.9 14.1 1.0 N A:GLU277 5.0 17.6 1.0 O A:HOH726 5.0 36.3 1.0 CA A:GLU277 5.0 19.1 1.0

Magnesium binding site 2 out of 2 in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fspp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg403 b:20.7 occ:1.00 OE2 B:GLU284 2.1 16.8 1.0 O B:HOH580 2.3 18.6 1.0 O1A B:FPS402 2.4 14.3 1.0 O B:HOH695 2.5 18.2 1.0 OD1 B:ASN276 2.6 12.8 1.0 OG B:SER280 2.6 14.2 1.0 CD B:GLU284 3.1 21.8 1.0 CB B:SER280 3.4 15.1 1.0 CG B:ASN276 3.4 15.8 1.0 OE1 B:GLU284 3.5 15.6 1.0 NH2 B:ARG230 3.6 11.8 1.0 ND2 B:ASN276 3.6 12.9 1.0 PA B:FPS402 3.7 17.2 1.0 O2B B:FPS402 3.8 29.9 1.0 O3B B:FPS402 4.0 23.7 1.0 O B:HOH755 4.0 18.1 1.0 CZ B:ARG230 4.1 20.0 1.0 S1 B:FPS402 4.3 25.5 1.0 NH1 B:ARG230 4.3 17.5 1.0 O B:ASN276 4.3 14.6 1.0 PB B:FPS402 4.3 29.1 1.0 CG B:GLU284 4.4 22.7 1.0 O3A B:FPS402 4.5 23.1 1.0 C B:ASN276 4.7 14.2 1.0 CB B:ASN276 4.8 12.1 1.0 O2A B:FPS402 4.8 16.1 1.0 CA B:SER280 4.8 11.9 1.0 OE1 B:GLU277 4.9 19.4 1.0

T.Wang, Y.Yang, M.He, M.Liu, J.W.Huang, J.Min, C.C.Chen, Y.Liu, L.Zhang, R.T.Guo. Structural Insights Into the Cyclization of Unusual Brasilane-Type Sesquiterpenes. Int.J.Biol.Macromol. V. 209 1784 2022.
ISSN: ISSN 0141-8130
PubMed: 35504416
DOI: 10.1016/J.IJBIOMAC.2022.04.150