Fluorine in PDB 8tlc: Human Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor

The structure of Human Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor, PDB code: 8tlc was solved by J.M.Katinas, C.E.Dann Iii, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.71 / 2.72
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	158.718, 158.718, 207.155, 90, 90, 120
R / Rfree (%)	30.6 / 35.9

The binding sites of Fluorine atom in the Human Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor (pdb code 8tlc). 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 Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor, PDB code: 8tlc:

Fluorine binding site 1 out of 1 in the Human Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Mitochondrial Serine Hydroxymethyltransferase (SHMT2) in Complex with Plp, Glycine and Tri-Glutamate AGF347 Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:84.2 occ:1.00 F24 A:I6I601 0.0 84.2 1.0 C13 A:I6I601 1.4 69.2 1.0 C12 A:I6I601 2.4 61.5 1.0 C15 A:I6I601 2.4 73.3 1.0 C17 A:I6I601 2.8 66.2 1.0 O18 A:I6I601 3.1 56.4 1.0 OH B:TYR105 3.2 63.5 1.0 CD1 A:ILE183 3.5 24.9 1.0 C14 A:I6I601 3.7 47.1 1.0 C33 A:I6I601 3.7 59.3 1.0 N19 A:I6I601 3.8 74.7 1.0 CG B:PRO321 3.8 31.1 1.0 CZ B:TYR105 3.9 65.8 1.0 C16 A:I6I601 4.2 42.5 1.0 CE1 B:TYR105 4.2 70.0 1.0 C22 A:I6I601 4.3 80.7 1.0 CE1 B:PHE317 4.6 34.4 1.0 CZ B:PHE317 4.7 36.3 1.0 CB B:PRO321 4.8 35.6 1.0 CD B:PRO321 4.8 29.7 1.0 C20 A:I6I601 4.8 77.3 1.0 CG1 A:ILE183 4.8 24.2 1.0 C32 A:I6I601 4.9 58.7 1.0 CE2 B:TYR105 4.9 69.2 1.0

J.M.Katinas, M.J.Nayeen, M.Schneider, K.Shah, A.N.Fifer, L.M.Klapper, A.Sharma, K.Thalluri, M.S.Van Nieuwenhze, Z.Hou, A.Gangjee, L.H.Matherly, C.E.Dann 3Rd. Structural Characterization of 5-Substituted Pyrrolo[3,2- D ]Pyrimidine Antifolate Inhibitors in Complex with Human Serine Hydroxymethyl Transferase 2. Biochemistry 2024.
ISSN: ISSN 0006-2960
PubMed: 38324671
DOI: 10.1021/ACS.BIOCHEM.3C00613