Fluorine in PDB 8bb2: Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #2)

The structure of Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #2), PDB code: 8bb2 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)	46.01 / 2.05
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.262, 85.731, 197.67, 90, 90, 90
R / Rfree (%)	19.9 / 23.7

The binding sites of Fluorine atom in the Structure of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac with Peg Linker (Conformation #2) (pdb code 8bb2). 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 #2), PDB code: 8bb2:
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 #2)


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 #2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:35.9 occ:1.00 F B:Q3X403 0.0 35.9 1.0 C48 B:Q3X403 1.3 38.6 1.0 F1 B:Q3X403 2.1 43.2 1.0 F2 B:Q3X403 2.2 35.3 1.0 C47 B:Q3X403 2.4 36.9 1.0 C46 B:Q3X403 2.7 38.8 1.0 CD2 B:LEU321 3.5 29.1 1.0 CB B:SER49 3.5 24.4 1.0 CA B:SER49 3.7 25.9 1.0 C43 B:Q3X403 3.7 37.6 1.0 CB B:ALA47 3.9 31.5 1.0 C45 B:Q3X403 4.1 40.2 1.0 N B:SER49 4.2 26.3 1.0 O B:VAL48 4.3 28.4 1.0 C B:VAL48 4.3 28.4 1.0 C42 B:Q3X403 4.4 31.2 1.0 O9 B:Q3X403 4.4 27.7 1.0 CD1 B:ILE305 4.5 35.0 1.0 C B:ALA47 4.7 30.9 1.0 C44 B:Q3X403 4.8 35.6 1.0 O B:ALA47 4.8 32.2 1.0 OG B:SER49 4.8 24.4 1.0 O10 B:Q3X403 4.8 42.5 1.0 O B:HOH557 4.9 40.8 1.0 CG2 B:ILE305 4.9 28.5 1.0 CA B:ALA47 4.9 29.8 1.0 N8 B:Q3X403 5.0 38.8 1.0 CG B:LEU321 5.0 29.5 1.0 C B:SER49 5.0 27.1 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 #2)


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 #2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:43.2 occ:1.00 F1 B:Q3X403 0.0 43.2 1.0 C48 B:Q3X403 1.3 38.6 1.0 F B:Q3X403 2.1 35.9 1.0 F2 B:Q3X403 2.1 35.3 1.0 C47 B:Q3X403 2.3 36.9 1.0 O9 B:Q3X403 2.8 27.7 1.0 O B:HOH557 3.0 40.8 1.0 C43 B:Q3X403 3.1 37.6 1.0 C42 B:Q3X403 3.2 31.2 1.0 C46 B:Q3X403 3.3 38.8 1.0 CD1 B:ILE305 3.6 35.0 1.0 CD2 B:LEU321 3.7 29.1 1.0 C44 B:Q3X403 4.4 35.6 1.0 N7 B:Q3X403 4.5 29.3 1.0 C45 B:Q3X403 4.6 40.2 1.0 O B:HOH564 4.6 32.3 1.0 CD1 B:LEU321 4.6 31.7 1.0 CG B:LEU321 4.8 29.5 1.0 CD1 B:TYR260 4.9 37.5 1.0 CG1 B:ILE305 4.9 31.7 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 #2)


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 #2) within 5.0Å range: probe atom residue distance (Å) B Occ B:F403 b:35.3 occ:1.00 F2 B:Q3X403 0.0 35.3 1.0 C48 B:Q3X403 1.4 38.6 1.0 F1 B:Q3X403 2.1 43.2 1.0 F B:Q3X403 2.2 35.9 1.0 C47 B:Q3X403 2.4 36.9 1.0 C43 B:Q3X403 3.0 37.6 1.0 C42 B:Q3X403 3.0 31.2 1.0 O9 B:Q3X403 3.1 27.7 1.0 CD1 B:ILE305 3.3 35.0 1.0 C46 B:Q3X403 3.5 38.8 1.0 CB B:SER49 3.5 24.4 1.0 C37 B:Q3X403 3.6 27.6 1.0 C36 B:Q3X403 3.6 27.9 1.0 CA B:SER49 3.7 25.9 1.0 N7 B:Q3X403 3.8 29.3 1.0 CG1 B:ILE305 4.1 31.7 1.0 O B:SER49 4.2 27.1 1.0 C44 B:Q3X403 4.2 35.6 1.0 C B:SER49 4.5 27.1 1.0 CD2 B:LEU321 4.5 29.1 1.0 CG2 B:ILE305 4.6 28.5 1.0 C45 B:Q3X403 4.6 40.2 1.0 N5 B:Q3X403 4.7 28.7 1.0 C41 B:Q3X403 4.7 29.9 1.0 O B:HOH557 4.7 40.8 1.0 OG B:SER91 4.8 34.5 1.0 N B:SER49 4.8 26.3 1.0 O B:SER91 4.9 26.6 1.0 OG B:SER49 4.9 24.4 1.0 CB B:ILE305 4.9 29.6 1.0 O B:HOH564 4.9 32.3 1.0 N8 B:Q3X403 4.9 38.8 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 #2) To Be Published.