Fluorine in PDB 6noj: Pd-L1 Igv Domain V76T with Fragment

The structure of Pd-L1 Igv Domain V76T with Fragment, PDB code: 6noj was solved by B.Zhao, E.Perry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.08 / 2.33
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.803, 96.941, 32.658, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 24.5

The binding sites of Fluorine atom in the Pd-L1 Igv Domain V76T with Fragment (pdb code 6noj). 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 Pd-L1 Igv Domain V76T with Fragment, PDB code: 6noj:

Fluorine binding site 1 out of 1 in the Pd-L1 Igv Domain V76T with Fragment


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pd-L1 Igv Domain V76T with Fragment within 5.0Å range: probe atom residue distance (Å) B Occ A:F400 b:34.4 occ:1.00 F12 A:KW7400 0.0 34.4 1.0 C08 A:KW7400 1.4 27.7 1.0 C14 A:KW7400 2.4 19.9 1.0 C06 A:KW7400 2.4 25.8 1.0 C02 A:KW7400 2.9 27.5 1.0 C A:ILE116 2.9 23.2 1.0 O A:ILE116 2.9 22.3 1.0 N09 A:KW7400 3.0 26.6 1.0 C03 A:KW7400 3.1 26.2 1.0 N A:SER117 3.2 20.7 1.0 N A:ILE116 3.3 23.3 1.0 CB A:SER117 3.6 25.8 1.0 CA A:ILE116 3.6 25.1 1.0 C17 A:KW7400 3.7 18.1 1.0 C13 A:KW7400 3.7 21.4 1.0 CA A:SER117 3.7 23.5 1.0 C A:MET115 3.7 23.9 1.0 CB A:ALA121 3.9 24.9 1.0 O A:ASP122 3.9 25.0 1.0 C05 A:KW7400 4.0 28.5 1.0 C16 A:KW7400 4.1 20.0 1.0 CB A:MET115 4.1 24.1 1.0 O A:MET115 4.2 23.7 1.0 N A:ASP122 4.3 25.0 1.0 C01 A:KW7400 4.3 30.2 1.0 CA A:MET115 4.3 23.2 1.0 CB B:ALA121 4.4 28.6 1.0 CA A:ALA121 4.4 26.9 1.0 OG A:SER117 4.6 28.0 1.0 N04 A:KW7400 4.7 29.6 1.0 C A:ALA121 4.8 25.9 1.0 C A:ASP122 4.8 26.2 1.0 O A:ILE54 4.9 21.7 1.0

E.Perry, J.J.Mills, B.Zhao, F.Wang, Q.Sun, P.P.Christov, J.C.Tarr, T.A.Rietz, E.T.Olejniczak, T.Lee, S.Fesik. Fragment-Based Screening of Programmed Death Ligand 1 (Pd-L1). Bioorg. Med. Chem. Lett. V. 29 786 2019.
ISSN: ESSN 1464-3405
PubMed: 30728114
DOI: 10.1016/J.BMCL.2019.01.028