Magnesium in PDB 7w5i: The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1

All present enzymatic activity of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1:
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-1, PDB code: 7w5i 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)	33.30 / 2.13
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.638, 98.336, 72.379, 90, 94.65, 90
R / Rfree (%)	20.1 / 23.1

The binding sites of Magnesium atom in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1 (pdb code 7w5i). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1, PDB code: 7w5i:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1


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-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg405 b:27.9 occ:1.00 O2A A:FPP401 2.0 27.5 1.0 O1B A:FPP401 2.1 19.1 1.0 OE2 A:GLU284 2.2 17.9 1.0 O A:HOH523 2.6 20.6 1.0 OD1 A:ASN276 2.6 13.1 1.0 OG A:SER280 2.7 15.7 1.0 CD A:GLU284 3.1 23.9 1.0 PA A:FPP401 3.2 30.9 1.0 CB A:SER280 3.4 16.1 1.0 PB A:FPP401 3.4 20.5 1.0 OE1 A:GLU284 3.4 21.5 1.0 CG A:ASN276 3.5 13.6 1.0 O3A A:FPP401 3.6 22.2 1.0 O1 A:FPP401 3.7 28.5 1.0 ND2 A:ASN276 3.8 16.4 1.0 NH2 A:ARG230 3.8 11.9 1.0 O2B A:FPP401 4.2 36.7 1.0 O A:ASN276 4.2 18.6 1.0 CZ A:ARG230 4.3 20.5 1.0 NH1 A:ARG230 4.4 16.5 1.0 CG A:GLU284 4.5 22.8 1.0 O3B A:FPP401 4.5 25.2 1.0 O A:HOH729 4.5 27.2 1.0 O1A A:FPP401 4.6 33.6 1.0 C A:ASN276 4.8 13.8 1.0 CA A:SER280 4.8 14.6 1.0 CB A:ASN276 4.9 13.0 1.0 C1 A:FPP401 5.0 24.4 1.0

Magnesium binding site 2 out of 3 in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1


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-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg408 b:29.2 occ:1.00 O2A B:FPP401 2.0 33.3 1.0 O B:HOH621 2.2 27.2 1.0 OE2 B:GLU284 2.3 23.1 1.0 OD1 B:ASN276 2.5 23.9 1.0 O1B B:FPP401 2.6 25.2 1.0 OG B:SER280 2.6 21.7 1.0 CD B:GLU284 3.1 26.4 1.0 PA B:FPP401 3.2 49.3 1.0 OE1 B:GLU284 3.2 33.4 1.0 CB B:SER280 3.4 23.3 1.0 O1 B:FPP401 3.4 37.7 1.0 CG B:ASN276 3.5 19.5 1.0 NH2 B:ARG230 3.6 15.9 1.0 PB B:FPP401 3.7 33.0 1.0 O3A B:FPP401 3.9 39.3 1.0 ND2 B:ASN276 3.9 20.4 1.0 CZ B:ARG230 4.0 25.8 1.0 NH1 B:ARG230 4.0 25.1 1.0 O B:HOH723 4.1 31.7 1.0 O B:ASN276 4.2 18.4 1.0 O2B B:FPP401 4.2 41.2 1.0 MG B:MG409 4.2 50.7 1.0 O1A B:FPP401 4.5 47.1 1.0 O B:HOH729 4.5 40.0 1.0 CG B:GLU284 4.6 30.7 1.0 C1 B:FPP401 4.6 31.6 1.0 C B:ASN276 4.6 18.1 1.0 CB B:ASN276 4.8 15.1 1.0 CA B:SER280 4.8 20.7 1.0 O B:HOH600 4.8 36.6 1.0 NE B:ARG230 4.9 30.4 1.0 ND2 B:ASN292 5.0 21.6 1.0

Magnesium binding site 3 out of 3 in the The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of Trichobrasilenol Synthase TATC6 in Complex with Fpp-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg409 b:50.7 occ:1.00 O B:HOH505 1.6 41.5 1.0 O2B B:FPP401 1.7 41.2 1.0 O B:HOH729 1.7 40.0 1.0 PB B:FPP401 2.8 33.0 1.0 O3A B:FPP401 2.8 39.3 1.0 OE2 B:GLU284 3.0 23.1 1.0 O2A B:FPP401 3.2 33.3 1.0 O1B B:FPP401 3.5 25.2 1.0 PA B:FPP401 3.5 49.3 1.0 O B:HOH652 3.9 38.9 1.0 CD B:GLU284 3.9 26.4 1.0 O3B B:FPP401 4.0 29.6 1.0 O B:HOH636 4.1 30.8 1.0 OE1 B:GLN289 4.1 45.6 1.0 CG B:GLU284 4.2 30.7 1.0 MG B:MG408 4.2 29.2 1.0 O1A B:FPP401 4.3 47.1 1.0 CE B:LYS283 4.4 23.7 1.0 NZ B:LYS283 4.6 37.7 1.0 NH2 B:ARG366 4.6 16.7 1.0 O1 B:FPP401 4.9 37.7 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