Bromine in PDB 5j8o: Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor

The structure of Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor, PDB code: 5j8o was solved by K.M.Zak, P.Grudnik, K.Guzik, B.J.Zieba, B.Musielak, P.Doemling, G.Dubin, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.26 / 2.30
Space group	P 2 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.313, 55.182, 141.773, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 30.5

The binding sites of Bromine atom in the Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor (pdb code 5j8o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor, PDB code: 5j8o:

Bromine binding site 1 out of 1 in the Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:53.7 occ:1.00 BR A:6GZ201 0.0 53.7 1.0 C16 A:6GZ201 1.9 43.6 1.0 C4 A:6GZ201 2.9 43.1 1.0 C15 A:6GZ201 2.9 45.7 1.0 O A:6GZ201 3.0 38.3 1.0 O B:ALA121 3.6 38.7 1.0 CG2 A:VAL68 3.7 42.9 1.0 CG2 A:ILE54 3.7 32.5 1.0 CG A:GLN66 3.9 47.2 1.0 CD1 A:TYR56 4.0 39.0 1.0 O B:HOH206 4.1 52.6 1.0 C5 A:6GZ201 4.2 42.4 1.0 CD A:GLN66 4.2 46.2 1.0 C7 A:6GZ201 4.2 45.3 1.0 C3 A:6GZ201 4.3 34.7 1.0 NE2 A:GLN66 4.5 45.1 1.0 OE1 A:GLN66 4.6 42.9 1.0 C B:ALA121 4.6 37.5 1.0 C17 A:6GZ201 4.6 32.4 1.0 CE1 A:TYR56 4.7 42.0 1.0 C6 A:6GZ201 4.7 43.6 1.0 CG A:TYR56 4.8 35.2 1.0 CB A:TYR56 4.8 34.0 1.0 CD1 A:ILE54 4.8 37.3 1.0 C2 A:6GZ201 4.9 31.4 1.0 CB B:ALA121 5.0 42.1 1.0

K.M.Zak, P.Grudnik, K.Guzik, B.J.Zieba, B.Musielak, A.Domling, G.Dubin, T.A.Holak. Structural Basis For Small Molecule Targeting of the Programmed Death Ligand 1 (Pd-L1). Oncotarget V. 7 30323 2016.
ISSN: ESSN 1949-2553
PubMed: 27083005
DOI: 10.18632/ONCOTARGET.8730