Fluorine in PDB 8bb3: Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #1)

The structure of Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #1), PDB code: 8bb3 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)	42.91 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.572, 189.858, 49.723, 90, 117.64, 90
R / Rfree (%)	19.3 / 22.7

The binding sites of Fluorine atom in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #1) (pdb code 8bb3). 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 Peg Linker (Conformation #1), PDB code: 8bb3:
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 Peg Linker (Conformation #1)


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 Peg Linker (Conformation #1) within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:35.8 occ:1.00 F B:Q3X407 0.0 35.8 1.0 C48 B:Q3X407 1.3 29.9 1.0 F1 B:Q3X407 2.0 30.8 1.0 F2 B:Q3X407 2.1 28.8 1.0 C47 B:Q3X407 2.4 28.8 1.0 O9 B:Q3X407 2.8 25.6 1.0 C43 B:Q3X407 3.1 26.3 1.0 O B:HOH571 3.2 43.1 1.0 C42 B:Q3X407 3.2 24.4 1.0 C46 B:Q3X407 3.4 27.9 1.0 CD2 B:LEU321 3.8 24.5 1.0 O B:HOH536 4.1 44.4 1.0 CD1 B:ILE305 4.2 27.5 1.0 C44 B:Q3X407 4.4 30.7 1.0 N7 B:Q3X407 4.5 24.4 1.0 C45 B:Q3X407 4.6 32.1 1.0 O B:HOH585 4.6 26.6 1.0 CG1 B:ILE305 4.8 24.0 1.0 OE1 B:GLU322 4.8 48.0 1.0 CD1 B:LEU321 4.8 29.5 1.0 CG B:LEU321 4.9 26.7 1.0 CD1 B:TYR260 4.9 34.0 1.0 CB B:SER49 4.9 22.0 1.0

Fluorine binding site 2 out of 3 in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #1)


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 Peg Linker (Conformation #1) within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:30.8 occ:1.00 F1 B:Q3X407 0.0 30.8 1.0 C48 B:Q3X407 1.3 29.9 1.0 F B:Q3X407 2.0 35.8 1.0 F2 B:Q3X407 2.2 28.8 1.0 C47 B:Q3X407 2.3 28.8 1.0 C42 B:Q3X407 2.9 24.4 1.0 C43 B:Q3X407 2.9 26.3 1.0 O9 B:Q3X407 3.1 25.6 1.0 C46 B:Q3X407 3.4 27.9 1.0 CB B:SER49 3.5 22.0 1.0 C40 B:Q3X407 3.6 23.8 1.0 C39 B:Q3X407 3.6 21.9 1.0 N7 B:Q3X407 3.6 24.4 1.0 CA B:SER49 3.8 20.3 1.0 CD1 B:ILE305 3.9 27.5 1.0 CG1 B:ILE305 4.0 24.0 1.0 C44 B:Q3X407 4.2 30.7 1.0 O B:SER49 4.4 24.3 1.0 C45 B:Q3X407 4.6 32.1 1.0 CD2 B:LEU321 4.6 24.5 1.0 C B:SER49 4.6 23.6 1.0 N5 B:Q3X407 4.7 21.3 1.0 C41 B:Q3X407 4.7 25.7 1.0 CG2 B:ILE305 4.7 21.5 1.0 O B:HOH585 4.8 26.6 1.0 O B:HOH571 4.8 43.1 1.0 OG B:SER49 4.8 22.4 1.0 OG B:SER91 4.8 30.0 1.0 O B:SER91 4.9 23.9 1.0 CB B:ILE305 4.9 22.2 1.0 N8 B:Q3X407 4.9 31.1 1.0 N B:SER49 4.9 23.2 1.0

Fluorine binding site 3 out of 3 in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #1)


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 Peg Linker (Conformation #1) within 5.0Å range: probe atom residue distance (Å) B Occ B:F407 b:28.8 occ:1.00 F2 B:Q3X407 0.0 28.8 1.0 C48 B:Q3X407 1.3 29.9 1.0 F B:Q3X407 2.1 35.8 1.0 F1 B:Q3X407 2.2 30.8 1.0 C47 B:Q3X407 2.4 28.8 1.0 C46 B:Q3X407 2.7 27.9 1.0 CB B:SER49 3.3 22.0 1.0 CA B:SER49 3.5 20.3 1.0 C43 B:Q3X407 3.7 26.3 1.0 CD2 B:LEU321 3.7 24.5 1.0 N B:SER49 4.0 23.2 1.0 O B:VAL48 4.1 25.9 1.0 CB B:ALA47 4.1 27.1 1.0 C45 B:Q3X407 4.1 32.1 1.0 C B:VAL48 4.2 25.1 1.0 C42 B:Q3X407 4.4 24.4 1.0 O B:HOH536 4.4 44.4 1.0 O9 B:Q3X407 4.5 25.6 1.0 OG B:SER49 4.5 22.4 1.0 C B:ALA47 4.7 28.8 1.0 C44 B:Q3X407 4.8 30.7 1.0 O B:ALA47 4.8 25.3 1.0 C B:SER49 4.8 23.6 1.0 CG2 B:ILE305 4.9 21.5 1.0 O10 B:Q3X407 4.9 33.8 1.0 N8 B:Q3X407 5.0 31.1 1.0 N B:VAL48 5.0 23.1 1.0

A.Kraemer, A.Doelle, S.Knapp, Structural Genomics Consortium (Sgc). Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #1) To Be Published.