Magnesium in PDB 7w5j: The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-2

All present enzymatic activity of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-2:
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 Fpp-2, PDB code: 7w5j 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)	31.91 / 2.05
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.528, 98.506, 72.479, 90, 94.48, 90
R / Rfree (%)	14.2 / 18.4

The binding sites of Magnesium atom in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-2 (pdb code 7w5j). 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 Fpp-2, PDB code: 7w5j:
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 Fpp-2


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 Fpp-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg407 b:21.2 occ:1.00 O3 A:POP402 2.2 16.7 0.4 O A:HOH637 2.3 18.5 1.0 OE2 A:GLU284 2.4 14.5 1.0 OD1 A:ASN276 2.4 16.5 1.0 O4 A:POP402 2.5 23.8 0.4 OG A:SER280 2.6 17.1 1.0 O6 A:POP402 2.6 17.3 0.6 O6 A:POP402 2.7 21.7 0.4 P2 A:POP402 3.0 19.1 0.4 P1 A:POP402 3.2 22.3 0.4 CD A:GLU284 3.3 19.9 1.0 O A:POP402 3.4 28.6 0.4 CG A:ASN276 3.4 15.8 1.0 CB A:SER280 3.4 15.8 1.0 OE1 A:GLU284 3.5 21.7 1.0 ND2 A:ASN276 3.7 12.9 1.0 O1 A:POP402 3.7 19.8 0.4 NH2 A:ARG230 3.9 19.6 1.0 P2 A:POP402 3.9 20.4 0.6 O A:HOH727 4.0 29.8 1.0 NH1 A:ARG230 4.0 22.6 1.0 O A:ASN276 4.1 14.6 1.0 O5 A:POP402 4.2 21.5 0.6 O2 A:POP402 4.2 26.1 0.6 CZ A:ARG230 4.2 24.9 1.0 O5 A:POP402 4.4 25.2 0.4 O2 A:POP402 4.5 20.5 0.4 C A:ASN276 4.5 17.0 1.0 CG A:GLU284 4.6 21.8 1.0 O1 A:POP402 4.6 23.9 0.6 O A:POP402 4.7 21.8 0.6 CB A:ASN276 4.7 16.6 1.0 P1 A:POP402 4.8 29.2 0.6 CA A:SER280 4.9 15.2 1.0 N A:GLU277 4.9 13.7 1.0 CA A:GLU277 5.0 16.1 1.0

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


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 Fpp-2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg507 b:14.2 occ:1.00 O1B B:FPP501 2.2 15.7 1.0 OE2 B:GLU284 2.3 15.2 1.0 O2A B:FPP501 2.4 19.5 1.0 O B:HOH701 2.4 14.4 1.0 OD1 B:ASN276 2.4 12.3 1.0 OG B:SER280 2.6 9.8 1.0 CD B:GLU284 3.2 15.7 1.0 CG B:ASN276 3.3 14.0 1.0 CB B:SER280 3.4 11.3 1.0 PA B:FPP501 3.4 27.4 1.0 PB B:FPP501 3.4 22.7 1.0 O1 B:FPP501 3.6 24.7 1.0 ND2 B:ASN276 3.6 13.0 1.0 OE1 B:GLU284 3.6 14.3 1.0 O3A B:FPP501 3.7 23.3 1.0 NH1 B:ARG230 3.9 9.8 1.0 O2B B:FPP501 3.9 31.1 1.0 O B:ASN276 4.0 9.4 1.0 O B:HOH893 4.2 21.6 1.0 NH2 B:ARG230 4.3 16.9 1.0 CZ B:ARG230 4.4 18.0 1.0 CG B:GLU284 4.5 15.7 1.0 C B:ASN276 4.5 9.1 1.0 CB B:ASN276 4.7 8.1 1.0 O3B B:FPP501 4.7 24.1 1.0 O1A B:FPP501 4.8 29.4 1.0 CA B:SER280 4.8 11.2 1.0 C1 B:FPP501 4.8 23.6 1.0 N B:GLU277 5.0 9.5 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