Fluorine in PDB 8fjv: Human Gar Transformylase in Complex with Gar Substrate and AGF362 Inhibitor

All present enzymatic activity of Human Gar Transformylase in Complex with Gar Substrate and AGF362 Inhibitor:
2.1.2.2; 6.3.3.1; 6.3.4.13;

The structure of Human Gar Transformylase in Complex with Gar Substrate and AGF362 Inhibitor, PDB code: 8fjv 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)	39.86 / 2.69
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.943, 74.943, 101.015, 90, 90, 120
R / Rfree (%)	19.2 / 24.5

The binding sites of Fluorine atom in the Human Gar Transformylase in Complex with Gar Substrate and AGF362 Inhibitor (pdb code 8fjv). 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 AGF362 Inhibitor, PDB code: 8fjv:

Fluorine binding site 1 out of 1 in the Human Gar Transformylase in Complex with Gar Substrate and AGF362 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 AGF362 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F1102 b:94.7 occ:0.96 F33 A:Y721102 0.0 94.7 1.0 C12 A:Y721102 1.4 97.8 1.0 C13 A:Y721102 2.4 99.6 1.0 C16 A:Y721102 2.5 96.0 1.0 C17 A:Y721102 3.0 98.2 1.0 N19 A:Y721102 3.0 96.6 1.0 C32 A:Y721102 3.0 89.9 1.0 CA A:MET896 3.1 92.5 1.0 C A:MET896 3.2 97.1 1.0 O A:MET896 3.5 106.4 1.0 C31 A:Y721102 3.6 82.5 1.0 CB A:MET896 3.7 93.7 1.0 C15 A:Y721102 3.7 99.7 1.0 N A:ARG897 3.8 90.8 1.0 S14 A:Y721102 3.8 102.1 1.0 O18 A:Y721102 4.1 105.2 1.0 SD A:MET896 4.1 97.0 1.0 O A:PHE895 4.1 69.3 1.0 CD1 A:ILE898 4.2 60.2 1.0 C20 A:Y721102 4.3 102.2 1.0 N A:MET896 4.3 82.4 1.0 CG A:MET896 4.5 98.2 1.0 C21 A:Y721102 4.5 104.0 1.0 CA A:ARG897 4.5 91.4 1.0 C22 A:Y721102 4.5 105.6 1.0 C A:PHE895 4.7 68.3 1.0 C A:ARG897 4.7 88.9 1.0 H232 A:GAR1101 4.7 163.1 1.0 CG1 A:ILE898 4.8 62.0 1.0 C30 A:Y721102 4.8 74.9 1.0 N A:ILE898 4.9 75.1 1.0

M.J.Nayeen, J.M.Katinas, T.Magdum, K.Shah, J.E.Wong, C.E.O'connor, A.N.Fifer, A.Wallace-Povirk, Z.Hou, L.H.Matherly, C.E.Dann 3Rd, A.Gangjee. Structure-Based Design of Transport-Specific Multitargeted One-Carbon Metabolism Inhibitors in Cytosol and Mitochondria. J.Med.Chem. V. 66 11294 2023.
ISSN: ISSN 0022-2623
PubMed: 37582241
DOI: 10.1021/ACS.JMEDCHEM.3C00763