Fluorine in PDB 5q1v: Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000166A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000166A, PDB code: 5q1v was solved by J.A.Newman, H.Aitkenhead, S.Y.Lee, K.Kupinska, N.Burgess-Brown, R.Tallon, T.Krojer, 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)	28.79 / 1.57
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.220, 57.126, 115.159, 90.00, 90.00, 90.00
R / Rfree (%)	14.8 / 19.2

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000166A also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000166A (pdb code 5q1v). 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 DCLRE1A in Complex with FMOPL000166A, PDB code: 5q1v:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000166A


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 DCLRE1A in Complex with FMOPL000166A within 5.0Å range: probe atom residue distance (Å) B Occ A:F1103 b:29.2 occ:0.63 F1 A:AXS1103 0.0 29.2 0.6 C3 A:AXS1103 1.4 29.9 0.6 C2 A:AXS1103 2.3 31.9 0.6 C4 A:AXS1103 2.4 30.5 0.6 O A:HOH1395 3.1 79.5 1.0 ND2 A:ASN1017 3.2 22.7 1.0 O A:CYS842 3.3 18.8 1.0 N A:CYS842 3.4 15.3 1.0 O A:THR839 3.5 15.8 1.0 C A:CYS842 3.5 16.6 1.0 C1 A:AXS1103 3.6 29.5 0.6 C5 A:AXS1103 3.6 29.1 0.6 CB A:CYS842 3.6 17.1 1.0 CA A:CYS842 3.7 16.5 1.0 O A:THR840 4.0 17.1 1.0 CG A:ASN1017 4.0 21.9 1.0 C6 A:AXS1103 4.1 30.6 0.6 SD A:MET1027 4.2 21.7 1.0 CG A:MET1027 4.2 20.3 1.0 CB A:ASN1017 4.4 20.5 1.0 C A:TYR841 4.4 17.1 1.0 N A:SER843 4.4 16.2 1.0 C A:THR840 4.6 14.9 1.0 CE2 A:TYR846 4.6 20.7 1.0 C A:THR839 4.7 15.2 1.0 CB A:SER843 4.7 23.1 1.0 CA A:TYR841 4.8 16.1 1.0 OD1 A:ASN1017 4.9 22.5 1.0 N A:TYR841 4.9 14.5 1.0

J.A.Newman, H.Aitkenhead, S.Y.Lee, K.Kupinska, N.Burgess-Brown, R.Tallon, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.