Fluorine in PDB 5rjr: Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z45705015

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z45705015, PDB code: 5rjr was solved by H.Grosjean, A.Aimon, T.Krojer, R.Talon, A.Douangamath, L.Koekemoer, C.H.Arrowsmith, A.Edwards, C.Bountra, F.Von Delft, P.C.Biggin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.56 / 1.27
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.950, 27.060, 55.730, 90.00, 99.84, 90.00
R / Rfree (%)	21.6 / 24.3

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z45705015 (pdb code 5rjr). 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 Phip in Complex with Z45705015, PDB code: 5rjr:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Phip in Complex with Z45705015


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 Phip in Complex with Z45705015 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1501 b:23.2 occ:0.48 F A:S9S1501 0.0 23.2 0.5 C6 A:S9S1501 1.3 21.9 0.5 C7 A:S9S1501 2.4 21.2 0.5 C5 A:S9S1501 2.4 21.0 0.5 CE1 A:TYR1353 3.1 19.1 1.0 CB A:TYR1395 3.2 18.1 1.0 OH A:TYR1353 3.3 18.6 1.0 C8 A:S9S1501 3.6 20.8 0.5 C4 A:S9S1501 3.6 20.7 0.5 O A:ASN1391 3.6 14.7 1.0 CD2 A:TYR1395 3.7 21.5 1.0 O A:HOH1670 3.7 22.0 1.0 CZ A:TYR1353 3.7 18.8 1.0 CA A:SER1392 3.7 13.5 1.0 CG A:TYR1395 3.7 19.4 1.0 C A:ASN1391 4.0 14.3 1.0 N A:SER1392 4.1 13.8 1.0 C3 A:S9S1501 4.1 20.7 0.5 O A:HOH1659 4.1 18.8 1.0 CD1 A:TYR1353 4.2 20.1 1.0 CB A:SER1392 4.5 13.6 1.0 O A:SER1392 4.5 14.4 1.0 CG2 A:VAL1345 4.5 21.4 1.0 CA A:TYR1395 4.5 17.7 1.0 C A:SER1392 4.6 13.8 1.0 CE2 A:TYR1395 4.8 22.1 1.0 CD1 A:TYR1395 4.8 19.8 1.0 N A:TYR1395 4.9 17.0 1.0 OG A:SER1392 4.9 16.3 1.0 CB A:ASN1391 4.9 15.0 1.0

H.Grosjean, A.Aimon, T.Krojer, R.Talon, A.Douangamath, L.Koekemoer, C.H.Arrowsmith, A.Edwards, C.Bountra, F.Von Delft, P.C.Biggin. Pandda Analysis Group Deposition of Ground-State Model To Be Published.