Fluorine in PDB 5qsv: Pandda Analysis Group Deposition -- Crystal Structure of Human STAG1 in Complex with Z2856434783

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Human STAG1 in Complex with Z2856434783, PDB code: 5qsv was solved by J.A.Newman, V.L.Katis, A.E.Gavard, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.68 / 2.76
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	66.443, 71.748, 118.782, 95.13, 99.21, 115.27
R / Rfree (%)	19.8 / 26.4

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Human STAG1 in Complex with Z2856434783 (pdb code 5qsv). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Human STAG1 in Complex with Z2856434783, PDB code: 5qsv:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Human STAG1 in Complex with Z2856434783


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Human STAG1 in Complex with Z2856434783 within 5.0Å range: probe atom residue distance (Å) B Occ D:F501 b:64.6 occ:0.49 F1 D:O3G501 0.0 64.6 0.5 C1 D:O3G501 1.4 53.5 0.5 C14 D:O3G501 2.3 54.3 0.5 C2 D:O3G501 2.3 51.3 0.5 CA D:ASN144 3.3 0.4 0.5 C13 D:O3G501 3.6 55.2 0.5 C3 D:O3G501 3.6 53.6 0.5 N D:ASN144 3.7 93.9 0.5 CD1 D:ILE121 3.8 87.8 1.0 CD1 D:ILE147 4.0 0.4 1.0 ND2 D:ASN144 4.0 0.6 0.5 O D:ASN144 4.0 0.2 0.5 C4 D:O3G501 4.1 55.3 0.5 C D:GLN143 4.2 92.2 0.5 C D:ASN144 4.2 0.9 0.5 CB D:ASN144 4.3 0.3 0.5 O D:GLN143 4.4 92.0 0.5 CG D:ASN144 4.7 95.2 0.5 CG1 D:ILE121 4.8 83.2 1.0 CG2 D:THR202 4.9 77.2 1.0 CG1 D:ILE147 5.0 86.5 1.0

J.A.Newman, V.L.Katis, A.E.Gavard, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.