Fluorine in PDB 5tmd: Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene.

The structure of Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene., PDB code: 5tmd was solved by K.Wetterhorn, S.A.Newmister, R.K.Caniza, M.Busman, S.P.Mccormick, F.Berthiller, G.Adam, I.Rayment, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.50 / 2.19
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.441, 83.155, 99.425, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 21.3

The binding sites of Fluorine atom in the Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene. (pdb code 5tmd). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene., PDB code: 5tmd:

Fluorine binding site 1 out of 1 in the Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of OS79 From O. Sativa in Complex with U2F and Trichothecene. within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:47.9 occ:1.00 F1 A:U2F501 0.0 47.9 1.0 C2 A:U2F501 1.4 41.3 1.0 C1 A:U2F501 2.3 41.9 1.0 C3 A:U2F501 2.4 38.8 1.0 O1 A:U2F501 2.6 46.6 1.0 O A:HOH800 2.9 44.6 1.0 O3 A:U2F501 2.9 33.5 1.0 O1B A:U2F501 3.0 42.7 1.0 NE2 A:GLN386 3.1 23.7 1.0 PB A:U2F501 3.4 47.2 1.0 O5 A:U2F501 3.6 38.8 1.0 C4 A:U2F501 3.8 35.8 1.0 NE2 A:HIS361 3.9 28.6 1.0 O3A A:U2F501 4.2 46.6 1.0 C5 A:U2F501 4.2 38.4 1.0 CD2 A:HIS361 4.2 24.5 1.0 C7 A:7E0502 4.4 81.0 0.6 O2B A:U2F501 4.4 43.0 1.0 CD A:GLN386 4.4 20.9 1.0 C6 A:7E0502 4.4 78.9 0.6 CG2 A:VAL292 4.6 74.2 1.0 CA A:GLY363 4.8 21.1 1.0 O3 A:7E0502 4.9 77.2 0.6 O1A A:U2F501 4.9 41.1 1.0 CB A:VAL292 4.9 70.0 1.0 O4 A:U2F501 4.9 28.3 1.0

K.M.Wetterhorn, S.A.Newmister, R.K.Caniza, M.Busman, S.P.Mccormick, F.Berthiller, G.Adam, I.Rayment. Crystal Structure of OS79 (OS04G0206600) From Oryza Sativa: A Udp-Glucosyltransferase Involved in the Detoxification of Deoxynivalenol. Biochemistry V. 55 6175 2016.
ISSN: ISSN 1520-4995
PubMed: 27715009
DOI: 10.1021/ACS.BIOCHEM.6B00709