Magnesium in PDB 7w5f: The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic

All present enzymatic activity of The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic:
4.2.3.104; 4.2.3.137; 4.2.3.157; 4.2.3.182; 4.2.3.57;

The structure of The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic, PDB code: 7w5f 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)	36.19 / 2.53
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.984, 97.791, 72.296, 90, 94.47, 90
R / Rfree (%)	18.8 / 25.3

The binding sites of Magnesium atom in the The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic (pdb code 7w5f). 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 Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic, PDB code: 7w5f:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:39.1 occ:1.00 OD1 A:ASN276 2.6 29.6 1.0 OE2 A:GLU284 2.7 34.5 1.0 O A:HOH578 2.8 26.3 1.0 ND2 A:ASN276 2.8 24.2 1.0 CG A:ASN276 3.1 21.4 1.0 OG A:SER280 3.1 24.2 1.0 CB A:SER280 3.6 24.2 1.0 NH2 A:ARG230 3.8 26.1 1.0 CD A:GLU284 3.9 31.2 1.0 NH1 A:ARG230 4.1 23.2 1.0 O A:ASN276 4.2 25.9 1.0 CZ A:ARG230 4.3 31.9 1.0 O A:HOH516 4.4 31.9 1.0 OE1 A:GLU284 4.4 34.3 1.0 CB A:ASN276 4.6 23.6 1.0 C A:ASN276 4.7 25.3 1.0 CE1 A:TYR367 4.9 21.2 1.0

Magnesium binding site 2 out of 2 in the The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Apo Structure of Trichobrasilenol Synthase TATC6 with the Space Group of Monoclinic within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:36.3 occ:1.00 OE2 B:GLU284 2.3 30.0 1.0 OD1 B:ASN276 2.4 23.2 1.0 OG B:SER280 2.5 23.8 1.0 O B:HOH577 2.8 31.4 1.0 CD B:GLU284 3.0 29.6 1.0 OE1 B:GLU284 3.3 30.5 1.0 NH2 B:ARG230 3.4 26.1 1.0 CB B:SER280 3.4 25.9 1.0 CG B:ASN276 3.5 24.4 1.0 O B:HOH576 3.5 28.7 1.0 O B:ASN276 4.0 23.4 1.0 ND2 B:ASN276 4.0 29.9 1.0 CZ B:ARG230 4.1 29.5 1.0 CG B:GLU284 4.3 35.9 1.0 O B:HOH527 4.4 38.9 1.0 C B:ASN276 4.4 23.9 1.0 OE1 B:GLU277 4.6 25.3 1.0 NH1 B:ARG230 4.6 27.6 1.0 CA B:GLU277 4.7 25.6 1.0 ND2 B:ASN292 4.7 19.7 1.0 N B:GLU277 4.7 21.9 1.0 CB B:ASN276 4.7 23.4 1.0 NE B:ARG230 4.8 31.6 1.0 OE2 B:GLU277 4.8 30.8 1.0 CD B:GLU277 4.8 26.1 1.0 CA B:SER280 4.8 23.9 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