Fluorine in PDB 7q2j: Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer

The structure of Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer, PDB code: 7q2j was solved by A.Kraemer, A.Doelle, M.P.Schwalm, B.Adhikari, E.Wolf, S.Knapp, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.75 / 2.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.702, 190.809, 48.698, 90, 115.25, 90
R / Rfree (%)	24.3 / 29.3

The binding sites of Fluorine atom in the Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer (pdb code 7q2j). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer, PDB code: 7q2j:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer within 5.0Å range: probe atom residue distance (Å) B Occ D:F401 b:67.7 occ:1.00 F2 D:8KH401 0.0 67.7 1.0 C13 D:8KH401 1.3 66.4 1.0 F1 D:8KH401 2.1 68.0 1.0 F D:8KH401 2.2 62.6 1.0 C12 D:8KH401 2.4 66.7 1.0 C11 D:8KH401 2.7 69.0 1.0 CA D:SER49 3.4 54.4 1.0 CB D:SER49 3.5 55.5 1.0 CD2 D:LEU321 3.6 79.7 1.0 C8 D:8KH401 3.7 64.6 1.0 N D:SER49 3.9 53.4 1.0 O D:VAL48 4.0 58.3 1.0 C D:VAL48 4.1 59.6 1.0 C10 D:8KH401 4.2 70.1 1.0 C7 D:8KH401 4.4 59.8 1.0 O1 D:8KH401 4.4 58.8 1.0 CB D:ALA47 4.5 65.2 1.0 C D:SER49 4.7 54.3 1.0 OG D:SER49 4.7 58.2 1.0 CG2 D:ILE305 4.7 66.1 1.0 C9 D:8KH401 4.8 67.8 1.0 O D:SER49 4.8 52.1 1.0 CG1 D:ILE305 4.8 71.5 1.0 C D:ALA47 4.9 61.5 1.0 O D:ALA47 4.9 57.8 1.0 N3 D:8KH401 4.9 67.8 1.0 N D:VAL48 5.0 63.1 1.0 O D:8KH401 5.0 71.8 1.0

Fluorine binding site 2 out of 3 in the Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer within 5.0Å range: probe atom residue distance (Å) B Occ D:F401 b:68.0 occ:1.00 F1 D:8KH401 0.0 68.0 1.0 C13 D:8KH401 1.3 66.4 1.0 F D:8KH401 2.0 62.6 1.0 F2 D:8KH401 2.1 67.7 1.0 C12 D:8KH401 2.3 66.7 1.0 C7 D:8KH401 2.9 59.8 1.0 C8 D:8KH401 2.9 64.6 1.0 O1 D:8KH401 3.0 58.8 1.0 C4 D:8KH401 3.3 56.8 1.0 C11 D:8KH401 3.5 69.0 1.0 N2 D:8KH401 3.7 56.1 1.0 CG1 D:ILE305 3.8 71.5 1.0 CB D:SER49 3.9 55.5 1.0 CA D:SER49 3.9 54.4 1.0 C3 D:8KH401 3.9 54.5 1.0 CD1 D:ILE305 4.0 71.8 1.0 C9 D:8KH401 4.2 67.8 1.0 O D:SER49 4.4 52.1 1.0 CD2 D:LEU321 4.5 79.7 1.0 N1 D:8KH401 4.5 58.9 1.0 CG2 D:ILE305 4.6 66.1 1.0 C6 D:8KH401 4.6 56.6 1.0 C D:SER49 4.7 54.3 1.0 C10 D:8KH401 4.7 70.1 1.0 O D:SER91 4.7 50.2 1.0 CB D:ILE305 4.7 69.4 1.0 OG D:SER91 4.7 66.4 1.0 N3 D:8KH401 4.9 67.8 1.0 N D:8KH401 5.0 56.8 1.0

Fluorine binding site 3 out of 3 in the Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer within 5.0Å range: probe atom residue distance (Å) B Occ D:F401 b:62.6 occ:1.00 F D:8KH401 0.0 62.6 1.0 C13 D:8KH401 1.3 66.4 1.0 F1 D:8KH401 2.0 68.0 1.0 F2 D:8KH401 2.2 67.7 1.0 C12 D:8KH401 2.3 66.7 1.0 O1 D:8KH401 2.8 58.8 1.0 C8 D:8KH401 3.1 64.6 1.0 C7 D:8KH401 3.2 59.8 1.0 C11 D:8KH401 3.3 69.0 1.0 CD2 D:LEU321 3.8 79.7 1.0 C9 D:8KH401 4.3 67.8 1.0 CD1 D:ILE305 4.4 71.8 1.0 N2 D:8KH401 4.5 56.1 1.0 C10 D:8KH401 4.6 70.1 1.0 CD1 D:TYR260 4.8 63.6 1.0 CG1 D:ILE305 4.8 71.5 1.0 N3 D:8KH401 4.9 67.8 1.0 CE1 D:TYR260 4.9 64.0 1.0 C4 D:8KH401 5.0 56.8 1.0

A.Kraemer, A.Doelle, M.P.Schwalm, B.Adhikari, E.Wolf, S.Knapp, Structural Genomics Consortium (Sgc). Quaternary Complex of Human WDR5 and Pvhl:Elonginc:Elonginb Bound to Protac Homer To Be Published.