Fluorine in PDB 8fe0: Human Gar Transformylase in Complex with Gar Substrate and AGF305 Inhibitor

The structure of Human Gar Transformylase in Complex with Gar Substrate and AGF305 Inhibitor, PDB code: 8fe0 was solved by J.Wong-Roushar, C.E.Dann Iii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.76 / 2.22
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.879, 74.879, 100.616, 90, 90, 120
R / Rfree (%)	20.6 / 25.2

The binding sites of Fluorine atom in the Human Gar Transformylase in Complex with Gar Substrate and AGF305 Inhibitor (pdb code 8fe0). 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 Human Gar Transformylase in Complex with Gar Substrate and AGF305 Inhibitor, PDB code: 8fe0:

Fluorine binding site 1 out of 1 in the Human Gar Transformylase in Complex with Gar Substrate and AGF305 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Gar Transformylase in Complex with Gar Substrate and AGF305 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:55.4 occ:0.91 F34 A:XSO1102 0.0 55.4 0.9 C14 A:XSO1102 1.4 39.9 0.9 O A:HOH1253 2.4 33.8 1.0 C12 A:XSO1102 2.4 43.1 0.9 C16 A:XSO1102 2.4 23.5 0.9 O18 A:XSO1102 2.8 44.2 0.9 C17 A:XSO1102 3.0 41.8 0.9 O A:HOH1285 3.4 44.9 1.0 CB A:SER925 3.4 36.3 1.0 OG A:SER925 3.4 37.4 1.0 N A:SER925 3.4 31.2 1.0 N13 A:XSO1102 3.6 42.2 0.9 C33 A:XSO1102 3.6 35.9 0.9 CA A:SER925 3.9 36.0 1.0 CA A:GLY924 4.0 25.3 1.0 C A:GLY924 4.0 32.0 1.0 C15 A:XSO1102 4.0 39.5 0.9 N19 A:XSO1102 4.4 40.3 0.9 CD1 A:ILE898 4.9 38.5 1.0 C32 A:XSO1102 5.0 41.8 0.9

N.Tong, J.Wong-Roushar, A.Wallace-Povirk, Y.Shah, M.C.Nyman, J.M.Katinas, M.Schneider, C.O'connor, X.Bao, S.Kim, J.Li, Z.Hou, L.H.Matherly, C.E.I.Dann, A.Gangjee. Multitargeted 6-Substituted Thieno[2,3-D]Pyrimidines As Folate Receptor-Selective Anticancer Agents That Inhibit Cytosolic and Mitochondrial One-Carbon Metabolism Acs Pharmacol Transl Sci 2023.
ISSN: ESSN 2575-910
DOI: 10.1021/ACSPTSCI.3C00020