Fluorine in PDB 7o2f: Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2)

All present enzymatic activity of Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2):
2.1.1.348;

The structure of Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2), PDB code: 7o2f 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)	44.74 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	64.25, 64.25, 225.77, 90, 90, 120
R / Rfree (%)	19.7 / 24.2

The binding sites of Fluorine atom in the Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2) (pdb code 7o2f). 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 the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2), PDB code: 7o2f:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2)


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 22 (UZH2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:44.0 occ:1.00 F10 A:UZ5601 0.0 44.0 1.0 C09 A:UZ5601 1.4 44.1 1.0 C11 A:UZ5601 2.4 44.7 1.0 C08 A:UZ5601 2.4 40.3 1.0 C07 A:UZ5601 2.9 42.1 1.0 C36 A:UZ5601 3.0 43.1 1.0 CB A:SER511 3.1 54.0 1.0 CA A:SER511 3.4 56.6 1.0 N06 A:UZ5601 3.5 43.5 1.0 C15 A:UZ5601 3.6 43.0 1.0 C12 A:UZ5601 3.7 40.9 1.0 CE2 A:TYR406 3.8 45.0 1.0 O A:SER511 3.8 52.0 1.0 O A:HOH758 3.8 45.6 1.0 OH A:TYR406 3.9 45.8 1.0 C A:SER511 4.1 52.1 1.0 CZ A:TYR406 4.1 43.7 1.0 C13 A:UZ5601 4.1 41.2 1.0 C37 A:UZ5601 4.3 41.9 1.0 OG A:SER511 4.3 57.7 1.0 C05 A:UZ5601 4.5 44.9 1.0 N A:SER511 4.6 61.9 1.0 CD2 A:TYR406 4.7 45.2 1.0 NH2 A:ARG536 4.8 54.3 1.0 N16 A:UZ5601 4.9 44.3 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2)


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 the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2) within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:40.2 occ:1.00 F14 A:UZ5601 0.0 40.2 1.0 C13 A:UZ5601 1.4 41.2 1.0 C12 A:UZ5601 2.4 40.9 1.0 C15 A:UZ5601 2.4 43.0 1.0 N16 A:UZ5601 2.9 44.3 1.0 C17 A:UZ5601 3.0 45.2 1.0 O A:ASP395 3.1 32.5 1.0 N A:PRO397 3.2 33.9 1.0 C21 A:UZ5601 3.4 43.4 1.0 CA A:PRO397 3.4 34.1 1.0 CB A:PRO397 3.4 39.1 1.0 C A:PRO396 3.5 37.6 1.0 C18 A:UZ5601 3.5 42.6 1.0 CD A:PRO397 3.6 32.7 1.0 C08 A:UZ5601 3.7 40.3 1.0 C11 A:UZ5601 3.7 44.7 1.0 O A:PRO396 3.7 37.3 1.0 CG A:PRO397 4.0 38.6 1.0 C09 A:UZ5601 4.2 44.1 1.0 C A:ASP395 4.2 32.9 1.0 CA A:PRO396 4.3 33.0 1.0 C33 A:UZ5601 4.4 41.5 1.0 CE1 A:TYR406 4.5 46.7 1.0 C19 A:UZ5601 4.6 41.2 1.0 CB A:PHE534 4.6 33.4 1.0 N A:PRO396 4.7 36.1 1.0 N32 A:UZ5601 4.7 45.5 1.0 CD1 A:TYR406 4.7 44.4 1.0 C22 A:UZ5601 4.8 41.9 1.0 OD2 A:ASP395 4.9 42.4 1.0 CG A:ASP395 4.9 36.3 1.0 C A:PRO397 4.9 35.4 1.0 CZ A:TYR406 5.0 43.7 1.0 O A:PHE534 5.0 35.3 1.0 C07 A:UZ5601 5.0 42.1 1.0

R.K.Bedi, A.Dolbois, A.Caflisch. Crystal Structure of the Human METTL3-METTL14 Complex Bound to Compound 22 (UZH2) J.Med.Chem. 2021.
ISSN: ISSN 0022-2623
DOI: 10.1021/ACS.JMEDCHEM.1C00773