Fluorine in PDB 5ei3: Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor.

The structure of Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor., PDB code: 5ei3 was solved by M.W.Nowicki, M.D.Walkinshaw, P.M.Fischer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.04 / 1.71
Space group	P 21 2 21
Cell size a, b, c (Å), α, β, γ (°)	38.590, 52.080, 125.190, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 18.7

The binding sites of Fluorine atom in the Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor. (pdb code 5ei3). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor., PDB code: 5ei3:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:28.5 occ:1.00 FAH A:5O8301 0.0 28.5 1.0 CBG A:5O8301 1.3 24.7 1.0 FAI A:5O8301 2.2 22.0 1.0 FAG A:5O8301 2.2 25.6 1.0 SBH A:5O8301 2.6 25.3 1.0 OAC A:5O8301 3.1 26.3 1.0 NAS A:5O8301 3.1 25.7 1.0 CAP A:5O8301 3.3 26.9 1.0 O A:THR203 3.6 16.4 1.0 CA A:ALA204 3.7 17.0 1.0 CG2 A:THR203 3.8 17.7 1.0 OAD A:5O8301 3.8 20.3 1.0 C A:THR203 3.9 17.8 1.0 N A:ALA204 4.0 13.1 1.0 O A:HOH525 4.3 33.8 1.0 CB A:ALA204 4.4 16.8 1.0 CB A:THR203 4.6 18.3 1.0 C A:ALA204 4.7 20.3 1.0 CBC A:5O8301 4.8 23.4 1.0 O A:HOH545 4.9 20.4 1.0 O A:HOH635 4.9 33.9 1.0 CA A:THR203 4.9 15.3 1.0 O A:ALA204 5.0 22.8 1.0

Fluorine binding site 2 out of 3 in the Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:22.0 occ:1.00 FAI A:5O8301 0.0 22.0 1.0 CBG A:5O8301 1.3 24.7 1.0 FAH A:5O8301 2.2 28.5 1.0 FAG A:5O8301 2.2 25.6 1.0 SBH A:5O8301 2.6 25.3 1.0 O A:HOH583 3.0 14.8 1.0 OAD A:5O8301 3.1 20.3 1.0 NAS A:5O8301 3.1 25.7 1.0 CB A:ALA204 3.3 16.8 1.0 CA A:ALA204 3.3 17.0 1.0 O A:HOH545 3.6 20.4 1.0 NE1 A:TRP102 3.6 11.9 1.0 OAC A:5O8301 3.8 26.3 1.0 O A:HOH623 3.9 23.4 1.0 CAP A:5O8301 4.1 26.9 1.0 N A:ALA204 4.2 13.1 1.0 CE2 A:TRP102 4.3 9.5 1.0 O A:HOH635 4.3 33.9 1.0 CD1 A:TRP102 4.4 9.9 1.0 C A:ALA204 4.4 20.3 1.0 O A:ALA204 4.5 22.8 1.0 CZ2 A:TRP102 4.6 11.3 1.0 O A:THR203 4.7 16.4 1.0 C A:THR203 4.7 17.8 1.0

Fluorine binding site 3 out of 3 in the Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor.


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Co-Crystal Structure of EIF4E with Nucleotide Mimetic Inhibitor. within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:25.6 occ:1.00 FAG A:5O8301 0.0 25.6 1.0 CBG A:5O8301 1.3 24.7 1.0 FAH A:5O8301 2.2 28.5 1.0 FAI A:5O8301 2.2 22.0 1.0 SBH A:5O8301 2.6 25.3 1.0 OAD A:5O8301 3.1 20.3 1.0 OAC A:5O8301 3.1 26.3 1.0 N A:ALA204 3.5 13.1 1.0 CA A:ALA204 3.5 17.0 1.0 CG2 A:THR203 3.6 17.7 1.0 CB A:ALA204 3.6 16.8 1.0 NE1 A:TRP102 3.8 11.9 1.0 C A:THR203 3.9 17.8 1.0 CAL A:5O8301 3.9 18.2 1.0 CB A:THR203 3.9 18.3 1.0 NAS A:5O8301 4.0 25.7 1.0 O A:HIS200 4.0 11.1 1.0 CD1 A:TRP102 4.0 9.9 1.0 CAJ A:5O8301 4.1 22.1 1.0 O A:THR203 4.2 16.4 1.0 CE2 A:TRP102 4.4 9.5 1.0 CAN A:5O8301 4.5 14.9 1.0 CA A:THR203 4.5 15.3 1.0 CAP A:5O8301 4.7 26.9 1.0 CG A:TRP102 4.7 8.7 1.0 O A:HOH583 4.8 14.8 1.0 CAK A:5O8301 4.9 22.2 1.0 CD2 A:TRP102 4.9 8.3 1.0 C A:ALA204 5.0 20.3 1.0

F.Soukarieh, M.W.Nowicki, A.Bastide, T.Poyry, C.Jones, K.Dudek, G.Patwardhan, F.Meullenet, N.J.Oldham, M.D.Walkinshaw, A.E.Willis, P.M.Fischer. Design of Nucleotide-Mimetic and Non-Nucleotide Inhibitors of the Translation Initiation Factor EIF4E: Synthesis, Structural and Functional Characterisation. Eur.J.Med.Chem. V. 124 200 2016.
ISSN: ISSN 0223-5234
PubMed: 27592390
DOI: 10.1016/J.EJMECH.2016.08.047