Chlorine in PDB 6r3k: 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: 6r3k was solved by K.M.Zak, P.Grudnik, L.Skalniak, G.Dubin, T.A.Holak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.94 / 2.20
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	40.527, 84.609, 164.116, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.9

The binding sites of Chlorine atom in the Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor (pdb code 6r3k). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor, PDB code: 6r3k:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 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 Chlorine with other atoms in the Cl 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 B:Cl201 b:49.8 occ:1.00 CL B:JQT201 0.0 49.8 1.0 C14 B:JQT201 1.7 40.7 1.0 C13 B:JQT201 2.7 41.1 1.0 C15 B:JQT201 2.8 37.0 1.0 O17 B:JQT201 3.2 33.6 1.0 CG2 B:VAL68 3.5 33.6 1.0 CG2 B:ILE54 3.5 22.1 1.0 O A:HOH336 3.6 38.3 1.0 O A:HOH354 3.7 26.9 1.0 O A:ALA121 3.8 24.3 1.0 CG B:GLN66 3.9 41.1 1.0 C12 B:JQT201 4.0 41.1 1.0 C16 B:JQT201 4.1 38.3 1.0 CD1 B:TYR56 4.5 33.3 1.0 C18 B:JQT201 4.5 31.2 1.0 CD B:GLN66 4.5 44.1 1.0 C11 B:JQT201 4.5 39.6 1.0 CD1 B:ILE54 4.6 30.1 1.0 NE2 B:GLN66 4.7 38.1 1.0 C A:ALA121 4.7 23.5 1.0 CB B:ILE54 4.8 29.0 1.0 C24 B:JQT201 4.8 26.4 1.0 CB B:VAL68 4.8 36.9 1.0 CG1 B:ILE54 4.8 31.9 1.0 CB B:TYR56 4.8 25.5 1.0

Chlorine binding site 2 out of 2 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 Chlorine with other atoms in the Cl binding site number 2 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 D:Cl201 b:56.1 occ:1.00 CL D:JQT201 0.0 56.1 1.0 C14 D:JQT201 1.7 52.5 1.0 C13 D:JQT201 2.6 55.5 1.0 C15 D:JQT201 2.7 42.8 1.0 O17 D:JQT201 3.1 39.8 1.0 CG1 C:VAL68 3.4 58.2 1.0 O D:HOH365 3.5 37.9 1.0 O D:HOH311 3.5 48.6 1.0 O D:ALA121 3.6 36.9 1.0 CG2 C:ILE54 3.9 49.4 1.0 C12 D:JQT201 3.9 53.1 1.0 C16 D:JQT201 4.0 45.1 1.0 C18 D:JQT201 4.4 37.8 1.0 C11 D:JQT201 4.4 48.8 1.0 CG C:GLN66 4.5 60.9 1.0 CD1 C:TYR56 4.5 43.4 1.0 CD C:GLN66 4.7 62.5 1.0 C D:ALA121 4.7 38.0 1.0 CD1 C:ILE54 4.8 42.6 1.0 NE2 C:GLN66 4.8 59.2 1.0 CB C:VAL68 4.8 67.3 1.0 CE1 C:TYR56 4.9 48.1 1.0 C24 D:JQT201 4.9 33.4 1.0 C38 D:JQT201 4.9 60.7 1.0

K.M.Zak, P.Grudnik, L.Skalniak, G.Dubin, T.A.Holak. Structure of Human Programmed Cell Death 1 Ligand 1 (Pd-L1) with Low Molecular Mass Inhibitor To Be Published.