Fluorine in PDB 7fvj: Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236

The structure of Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236, PDB code: 7fvj was solved by H.Grosjean, C.Tomlinson, W.J.Bradshaw, L.Koekemoer, T.Krojer, D.Fearon, P.C.Biggin, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	55.43 / 1.19
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	81.88, 27.462, 56.287, 90, 99.99, 90
R / Rfree (%)	17.1 / 19.4

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236 (pdb code 7fvj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236, PDB code: 7fvj:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236


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 -- Phip in Complex with Z4913873236 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:42.2 occ:0.54 F1 A:ZOK1901 0.0 42.2 0.5 C8 A:ZOK1901 1.3 40.9 0.5 F3 A:ZOK1901 2.1 42.2 0.5 F2 A:ZOK1901 2.1 40.2 0.5 C7 A:ZOK1901 2.4 39.9 0.5 O A:PRO1340 2.6 12.9 1.0 N3 A:ZOK1901 3.0 39.5 0.5 O A:GLN1343 3.1 19.5 1.0 C A:PRO1340 3.1 13.3 1.0 N A:GLN1343 3.2 18.2 1.0 N A:ARG1342 3.5 15.1 1.0 O A:GLU1339 3.6 14.1 1.0 N A:PHE1341 3.7 13.5 1.0 CB A:GLN1343 3.7 22.3 1.0 CA A:GLN1343 3.8 20.6 1.0 C A:GLN1343 3.8 20.2 1.0 CA A:PRO1340 3.9 13.8 1.0 C A:PHE1341 4.0 14.7 1.0 O A:HOH2002 4.0 36.4 1.0 C6 A:ZOK1901 4.0 39.1 0.5 CA A:PHE1341 4.1 13.9 1.0 C A:ARG1342 4.1 17.5 1.0 O A:HOH2038 4.2 33.2 0.5 CA A:ARG1342 4.3 16.6 1.0 O1 A:ZOK1901 4.6 36.7 0.5 C A:GLU1339 4.6 14.7 1.0 CB A:ARG1342 4.7 17.4 1.0 N A:PRO1340 4.8 13.7 1.0 CG A:GLN1343 4.8 25.9 1.0 N2 A:ZOK1901 4.8 38.9 0.5 O A:HOH2049 4.9 45.3 0.5 O A:PHE1341 4.9 14.7 1.0 O A:PRO1344 5.0 26.4 1.0 N A:PRO1344 5.0 22.6 1.0

Fluorine binding site 2 out of 3 in the Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:40.2 occ:0.54 F2 A:ZOK1901 0.0 40.2 0.5 C8 A:ZOK1901 1.3 40.9 0.5 F1 A:ZOK1901 2.1 42.2 0.5 F3 A:ZOK1901 2.1 42.2 0.5 C7 A:ZOK1901 2.4 39.9 0.5 O A:HOH2002 2.4 36.4 1.0 O A:PRO1340 2.7 12.9 1.0 N3 A:ZOK1901 2.7 39.5 0.5 C6 A:ZOK1901 3.0 39.1 0.5 O1 A:ZOK1901 3.2 36.7 0.5 C A:PRO1340 3.2 13.3 1.0 CA A:PRO1340 3.3 13.8 1.0 N2 A:ZOK1901 3.9 38.9 0.5 O A:GLU1339 3.9 14.1 1.0 OE2 A:GLU1339 4.2 32.9 1.0 CB A:PRO1340 4.2 13.9 1.0 N A:PHE1341 4.4 13.5 1.0 N A:PRO1340 4.4 13.7 1.0 C2 A:ZOK1901 4.5 38.7 0.5 OE1 A:GLU1339 4.5 33.1 1.0 O A:HOH2004 4.5 34.2 0.5 C A:GLU1339 4.6 14.7 1.0 CD A:GLU1339 4.7 27.6 1.0 C5 A:ZOK1901 4.7 39.2 0.5 O A:GLN1343 4.8 19.5 1.0

Fluorine binding site 3 out of 3 in the Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Pandda Analysis Group Deposition -- Phip in Complex with Z4913873236 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1901 b:42.2 occ:0.54 F3 A:ZOK1901 0.0 42.2 0.5 C8 A:ZOK1901 1.3 40.9 0.5 F1 A:ZOK1901 2.1 42.2 0.5 F2 A:ZOK1901 2.1 40.2 0.5 C7 A:ZOK1901 2.3 39.9 0.5 O A:HOH2002 3.3 36.4 1.0 O A:HOH2049 3.5 45.3 0.5 N3 A:ZOK1901 3.6 39.5 0.5 CB A:GLN1343 3.8 22.3 1.0 O A:PRO1340 4.3 12.9 1.0 O1 A:ZOK1901 4.3 36.7 0.5 O A:GLN1343 4.3 19.5 1.0 C6 A:ZOK1901 4.3 39.1 0.5 N A:GLN1343 4.5 18.2 1.0 O A:GLU1339 4.6 14.1 1.0 CA A:GLN1343 4.6 20.6 1.0 OE2 A:GLU1339 4.6 32.9 1.0 O A:HOH2004 4.6 34.2 0.5 C A:GLN1343 4.7 20.2 1.0 CG A:GLN1343 4.7 25.9 1.0 C A:PRO1340 4.8 13.3 1.0 O A:PRO1344 4.8 26.4 1.0

H.Grosjean, C.Tomlinson, W.J.Bradshaw, L.Koekemoer, T.Krojer, D.Fearon, P.C.Biggin, F.Von Delft. Pandda Analysis Group Deposition To Be Published.