Fluorine in PDB 8bb4: Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker

The structure of Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker, PDB code: 8bb4 was solved by A.Kraemer, A.Doelle, S.Knapp, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	92.25 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.786, 184.506, 47.951, 90, 102.78, 90
R / Rfree (%)	20.3 / 27.9

The binding sites of Fluorine atom in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker (pdb code 8bb4). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker, PDB code: 8bb4:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker within 5.0Å range: probe atom residue distance (Å) B Occ P:F301 b:49.3 occ:1.00 F2 P:Q3R301 0.0 49.3 1.0 C40 P:Q3R301 1.3 48.9 1.0 F P:Q3R301 2.1 54.7 1.0 F1 P:Q3R301 2.2 51.7 1.0 C39 P:Q3R301 2.3 46.4 1.0 O2 P:Q3R301 2.6 42.6 1.0 C35 P:Q3R301 3.1 44.4 1.0 C34 P:Q3R301 3.1 42.0 1.0 C38 P:Q3R301 3.3 46.7 1.0 CD2 Q:LEU321 4.0 46.9 1.0 CD1 Q:ILE305 4.1 43.1 1.0 N6 P:Q3R301 4.3 42.9 1.0 C36 P:Q3R301 4.3 46.6 1.0 C37 P:Q3R301 4.5 47.3 1.0 N7 P:Q3R301 4.9 46.6 1.0

Fluorine binding site 2 out of 3 in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker within 5.0Å range: probe atom residue distance (Å) B Occ P:F301 b:51.7 occ:1.00 F1 P:Q3R301 0.0 51.7 1.0 C40 P:Q3R301 1.3 48.9 1.0 F P:Q3R301 2.2 54.7 1.0 F2 P:Q3R301 2.2 49.3 1.0 C39 P:Q3R301 2.3 46.4 1.0 C38 P:Q3R301 2.6 46.7 1.0 C35 P:Q3R301 3.7 44.4 1.0 CD2 Q:LEU321 3.7 46.9 1.0 CB Q:SER49 3.8 45.6 1.0 CA Q:SER49 3.8 45.6 1.0 C37 P:Q3R301 4.0 47.3 1.0 CB Q:ALA47 4.1 54.9 1.0 N Q:SER49 4.2 47.2 1.0 O Q:VAL48 4.3 46.2 1.0 C Q:VAL48 4.3 48.1 1.0 C34 P:Q3R301 4.4 42.0 1.0 O2 P:Q3R301 4.4 42.6 1.0 CB Q:ALA65 4.7 49.0 1.0 C Q:ALA47 4.7 53.6 1.0 O Q:ALA47 4.7 55.5 1.0 C36 P:Q3R301 4.7 46.6 1.0 O1 P:Q3R301 4.8 47.8 1.0 N Q:VAL48 4.8 52.4 1.0 CD1 Q:ILE305 4.8 43.1 1.0 OG Q:SER49 4.9 45.4 1.0 N7 P:Q3R301 4.9 46.6 1.0

Fluorine binding site 3 out of 3 in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker within 5.0Å range: probe atom residue distance (Å) B Occ P:F301 b:54.7 occ:1.00 F P:Q3R301 0.0 54.7 1.0 C40 P:Q3R301 1.3 48.9 1.0 F2 P:Q3R301 2.1 49.3 1.0 F1 P:Q3R301 2.2 51.7 1.0 C39 P:Q3R301 2.4 46.4 1.0 C35 P:Q3R301 2.9 44.4 1.0 C34 P:Q3R301 3.0 42.0 1.0 O2 P:Q3R301 3.2 42.6 1.0 C38 P:Q3R301 3.5 46.7 1.0 CD1 Q:ILE305 3.5 43.1 1.0 C32 P:Q3R301 3.6 50.0 1.0 CB Q:SER49 3.6 45.6 1.0 CA Q:SER49 3.7 45.6 1.0 N6 P:Q3R301 3.7 42.9 1.0 C31 P:Q3R301 4.0 53.7 1.0 C36 P:Q3R301 4.3 46.6 1.0 CD2 Q:LEU321 4.4 46.9 1.0 O Q:SER49 4.5 40.6 1.0 CG1 Q:ILE305 4.6 42.2 1.0 C Q:SER49 4.6 44.0 1.0 C37 P:Q3R301 4.6 47.3 1.0 N Q:SER49 4.7 47.2 1.0 CG2 Q:ILE305 4.7 42.9 1.0 O Q:VAL48 4.8 46.2 1.0 C33 P:Q3R301 4.9 43.8 1.0 N4 P:Q3R301 5.0 46.0 1.0 OG Q:SER49 5.0 45.4 1.0

A.Kraemer, A.Doelle, S.Knapp, Structural Genomics Consortium (Sgc). Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with C3 Linker To Be Published.