Fluorine in PDB 7m2o: Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15

All present enzymatic activity of Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15:
1.1.3.15;

The structure of Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15, PDB code: 7m2o was solved by R.Gumpena, J.Ding, D.A.Powell, W.T.Lowther, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.77 / 2.07
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	96.904, 96.904, 79.536, 90, 90, 90
R / Rfree (%)	12.6 / 16.6

The binding sites of Fluorine atom in the Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15 (pdb code 7m2o). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15, PDB code: 7m2o:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15


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 Human Glycolate Oxidase with Inhibitor Compound 15 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:66.6 occ:1.00 F31 A:YOJ402 0.0 66.6 1.0 C30 A:YOJ402 1.4 65.2 1.0 C29 A:YOJ402 2.3 65.5 1.0 C32 A:YOJ402 2.5 54.4 1.0 CD1 A:LEU205 2.9 41.8 1.0 C33 A:YOJ402 3.0 40.4 1.0 C47 A:YOJ402 3.4 38.1 1.0 C28 A:YOJ402 3.6 63.1 1.0 C48 A:YOJ402 3.7 56.7 1.0 C34 A:YOJ402 3.9 37.2 1.0 C27 A:YOJ402 4.2 68.2 1.0 CG A:LEU205 4.2 36.2 1.0 SD A:MET82 4.4 67.3 1.0 C46 A:YOJ402 4.5 34.9 1.0 CD2 A:TYR208 4.6 57.0 1.0 C35 A:YOJ402 4.9 37.4 1.0 CG A:TYR208 5.0 50.5 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Glycolate Oxidase with Inhibitor Compound 15 within 5.0Å range: probe atom residue distance (Å) B Occ A:F402 b:116.7 occ:1.00 F51 A:YOJ402 0.0 116.7 1.0 C50 A:YOJ402 1.4 120.3 1.0 C49 A:YOJ402 2.3 110.9 1.0 C05 A:YOJ402 2.5 125.0 1.0 S02 A:YOJ402 3.2 126.2 1.0 O03 A:YOJ402 3.4 130.1 1.0 N01 A:YOJ402 3.5 126.6 1.0 C08 A:YOJ402 3.6 100.8 1.0 C06 A:YOJ402 3.7 118.3 1.0 C07 A:YOJ402 4.2 106.9 1.0 O A:THR112 4.6 45.3 1.0 O04 A:YOJ402 4.6 123.5 1.0 CA A:THR112 4.8 37.1 1.0 O A:ALA111 4.8 37.0 1.0 C A:THR112 4.8 40.5 1.0 C09 A:YOJ402 4.9 86.9 1.0

J.Ding, R.Gumpena, M.O.Boily, A.Caron, O.Chong, J.H.Cox, V.Dumais, S.Gaudreault, A.H.Graff, A.King, J.Knight, R.Oballa, J.Surendradoss, T.Tang, J.Wu, W.T.Lowther, D.A.Powell. Dual Glycolate Oxidase/Lactate Dehydrogenase A Inhibitors For Primary Hyperoxaluria Acs Medicinal Chemistry V. 12 1116 2021LETTERS.
DOI: 10.1021/ACSMEDCHEMLETT.1C00196