Calcium in PDB 2zba: Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2

The structure of Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2, PDB code: 2zba was solved by G.S.Garvey, S.P.Mccormick, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	100.973, 81.966, 113.506, 90.00, 109.15, 90.00
R / Rfree (%)	19.9 / 25.1

The binding sites of Calcium atom in the Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2 (pdb code 2zba). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2, PDB code: 2zba:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca460 b:23.3 occ:1.00 O A:HOH1066 2.2 23.7 1.0 O A:HOH1139 2.2 17.2 1.0 O A:HOH1046 2.5 20.2 1.0 OD1 A:ASP218 2.5 14.5 1.0 OD2 A:ASP218 2.6 18.5 1.0 CG A:ASP218 2.9 16.7 1.0 OD2 A:ASP376 3.2 20.6 1.0 CA A:CA461 3.8 15.5 1.0 O A:HOH1057 4.1 25.0 1.0 CG A:ASP376 4.1 18.9 1.0 O A:HOH1186 4.3 32.9 1.0 CB A:ASP218 4.4 15.4 1.0 O A:HOH1001 4.7 14.4 1.0 O A:HOH1219 4.7 30.4 1.0 O A:HOH1218 4.7 25.8 1.0 OD1 A:ASP376 4.7 16.3 1.0 O A:ASP218 4.9 15.9 1.0 C A:ASP218 5.0 15.8 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of F. Sporotrichioides TRI101 Complexed with Coenzyme A and T-2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca461 b:15.5 occ:1.00 O A:ILE221 2.2 18.1 1.0 O A:ASP218 2.4 15.9 1.0 OD1 A:ASP218 2.5 14.5 1.0 O A:HOH1001 2.5 14.4 1.0 OD1 A:ASP376 2.6 16.3 1.0 OD2 A:ASP376 2.7 20.6 1.0 CG A:ASP376 3.0 18.9 1.0 C A:ASP218 3.4 15.8 1.0 C A:ILE221 3.4 18.7 1.0 CG A:ASP218 3.7 16.7 1.0 CA A:CA460 3.8 23.3 1.0 CA A:ASP218 4.0 15.6 1.0 N A:ILE221 4.3 16.4 1.0 N A:ALA222 4.3 20.4 1.0 CA A:ILE221 4.3 17.6 1.0 O A:HOH1066 4.4 23.7 1.0 N A:HIS219 4.4 15.5 1.0 CA A:ALA222 4.4 23.7 1.0 CB A:ASP218 4.5 15.4 1.0 CB A:ALA222 4.5 23.4 1.0 CB A:ASP376 4.5 18.4 1.0 OD2 A:ASP218 4.5 18.5 1.0 CA A:HIS219 4.6 15.8 1.0 O A:HOH1122 4.7 27.1 1.0 CB A:ILE221 4.8 17.4 1.0 O A:HOH1046 4.8 20.2 1.0 C A:HIS219 4.9 15.3 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