Magnesium in PDB 3b2s: Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol

The structure of Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol, PDB code: 3b2s was solved by G.S.Garvey, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.12 / 1.92
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.006, 123.006, 81.388, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 20.3

The structure of Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Magnesium atom in the Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol (pdb code 3b2s). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol, PDB code: 3b2s:

Magnesium binding site 1 out of 1 in the Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of F. Graminearum TRI101 Complexed with Coenzyme A and Deoxynivalenol within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg452 b:19.2 occ:0.50 O A:HOH477 2.1 30.3 0.5 O A:HOH478 2.2 25.7 0.5 OG A:SER361 2.4 12.6 1.0 OD1 A:ASN362 2.9 19.0 1.0 CB A:SER361 3.5 12.9 1.0 CG A:ASN362 3.8 16.6 1.0 C A:SER361 4.2 12.9 1.0 ND2 A:ASN362 4.3 17.6 1.0 OD2 A:ASP359 4.3 17.6 1.0 N A:ASN362 4.3 13.4 1.0 CA A:SER361 4.4 12.9 1.0 OD1 A:ASP359 4.5 15.8 1.0 O A:SER361 4.6 14.1 1.0 O A:HOH537 4.8 27.5 1.0 CG A:ASP359 4.8 17.0 1.0 CA A:ASN362 4.9 14.2 1.0 CB A:ASN362 4.9 14.1 1.0

G.S.Garvey, S.P.Mccormick, I.Rayment. Structural and Functional Characterization of the TRI101 Trichothecene 3-O-Acetyltransferase From Fusarium Sporotrichioides and Fusarium Graminearum: Kinetic Insights to Combating Fusarium Head Blight J.Biol.Chem. V. 283 1660 2008.
ISSN: ISSN 0021-9258
PubMed: 17923480
DOI: 10.1074/JBC.M705752200