Fluorine in PDB 7o29: Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044)

All present enzymatic activity of Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044):
2.1.1.348;

The structure of Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044), PDB code: 7o29 was solved by R.K.Bedi, A.Dolbois, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.69 / 2.75
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.15, 64.15, 225.65, 90, 90, 120
R / Rfree (%)	20.2 / 25.5

The binding sites of Fluorine atom in the Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044) (pdb code 7o29). 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 the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044), PDB code: 7o29:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044)


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 the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044) within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:64.3 occ:1.00 F13 A:UZE601 0.0 64.3 1.0 C12 A:UZE601 1.4 59.5 1.0 C14 A:UZE601 2.4 60.6 1.0 C11 A:UZE601 2.4 62.6 1.0 N15 A:UZE601 2.9 62.4 1.0 C16 A:UZE601 3.0 62.7 1.0 O A:ASP395 3.0 52.7 1.0 N A:PRO397 3.1 54.2 1.0 C A:PRO396 3.3 51.6 1.0 CA A:PRO397 3.3 54.2 1.0 CB A:PRO397 3.3 57.5 1.0 O A:PRO396 3.5 52.9 1.0 CD A:PRO397 3.5 48.4 1.0 C10 A:UZE601 3.6 67.9 1.0 C08 A:UZE601 3.7 62.7 1.0 C17 A:UZE601 3.9 58.6 1.0 CG A:PRO397 4.0 48.9 1.0 C A:ASP395 4.1 50.6 1.0 CA A:PRO396 4.1 51.1 1.0 C09 A:UZE601 4.1 63.8 1.0 C20 A:UZE601 4.2 58.5 1.0 C32 A:UZE601 4.3 63.5 1.0 C21 A:UZE601 4.4 58.0 1.0 N A:PRO396 4.5 51.3 1.0 OD2 A:ASP395 4.7 63.3 1.0 CE1 A:TYR406 4.7 64.3 1.0 CG A:ASP395 4.7 57.9 1.0 CB A:PHE534 4.7 51.1 1.0 OD1 A:ASP395 4.8 53.0 1.0 CZ A:TYR406 4.8 62.6 1.0 C A:PRO397 4.8 52.1 1.0 OH A:TYR406 5.0 58.1 1.0 C07 A:UZE601 5.0 60.9 1.0

R.K.Bedi, A.Dolbois, A.Caflisch. Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 20 (ADO_AD_044) J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.1C00773