Chlorine in PDB 8x7h: Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1).

The structure of Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1)., PDB code: 8x7h was solved by C.Dong, X.Yan, Y.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.46 / 2.90
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	56.855, 87.613, 88.44, 103.09, 90.9, 106.23
R / Rfree (%)	23.6 / 30.1

The binding sites of Chlorine atom in the Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1). (pdb code 8x7h). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1)., PDB code: 8x7h:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1). within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:71.3 occ:1.00 CL1 A:YBI301 0.0 71.3 1.0 C23 A:YBI301 1.8 9.8 1.0 C22 A:YBI301 2.7 2.2 1.0 C24 A:YBI301 2.7 51.5 1.0 CB B:ASP145 3.8 71.2 1.0 C25 A:YBI301 4.0 69.7 1.0 C21 A:YBI301 4.1 342.6 1.0 OD1 B:ASP145 4.2 164.8 1.0 SD B:MET149 4.3 65.0 1.0 CZ2 B:TRP81 4.4 94.4 1.0 C20 A:YBI301 4.5 2.2 1.0 CG B:ASP145 4.6 59.4 1.0 CE B:MET149 4.6 94.8 1.0 N B:ILE146 4.9 84.8 1.0 CH2 B:TRP81 4.9 214.1 1.0 C B:ASP145 4.9 79.3 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1). within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl301 b:71.3 occ:1.00 CL1 C:YBI301 0.0 71.3 1.0 C23 C:YBI301 1.8 9.8 1.0 C22 C:YBI301 2.7 2.2 1.0 C24 C:YBI301 2.7 51.5 1.0 CD E:PRO169 3.6 160.9 1.0 CB D:ASP145 3.9 71.2 1.0 C25 C:YBI301 4.0 69.7 1.0 C21 C:YBI301 4.1 342.6 1.0 CD1 E:TYR168 4.1 43.0 1.0 CG E:PRO169 4.1 61.4 1.0 OD1 D:ASP145 4.2 164.8 1.0 CZ2 D:TRP81 4.3 94.4 1.0 CE1 E:TYR168 4.3 153.2 1.0 SD D:MET149 4.3 65.0 1.0 CE D:MET149 4.5 94.8 1.0 C20 C:YBI301 4.5 2.2 1.0 CG D:ASP145 4.6 59.4 1.0 CH2 D:TRP81 4.8 214.1 1.0 N D:ILE146 4.9 84.8 1.0 N E:PRO169 5.0 36.4 1.0 C D:ASP145 5.0 79.3 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1). within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl301 b:94.8 occ:1.00 CL1 E:YBI301 0.0 94.8 1.0 C23 E:YBI301 1.8 45.2 1.0 C22 E:YBI301 2.7 129.4 1.0 C24 E:YBI301 2.8 33.8 1.0 CB F:ASP145 3.7 71.2 1.0 C21 E:YBI301 4.0 140.9 1.0 C25 E:YBI301 4.0 52.6 1.0 SD F:MET149 4.1 65.0 1.0 OD1 F:ASP145 4.2 164.8 1.0 CE F:MET149 4.4 94.8 1.0 CZ2 F:TRP81 4.5 94.4 1.0 CG F:ASP145 4.5 59.4 1.0 N F:ILE146 4.5 84.8 1.0 C20 E:YBI301 4.6 42.4 1.0 C F:ASP145 4.6 79.3 1.0 CA F:ASP145 4.8 85.3 1.0 CH2 F:TRP81 5.0 214.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1).


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Ternary Complex of GID4-Protac(NEP162)- BRD4(BD1). within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl301 b:94.8 occ:1.00 CL1 G:YBI301 0.0 94.8 1.0 C23 G:YBI301 1.8 45.2 1.0 C24 G:YBI301 2.7 33.8 1.0 C22 G:YBI301 2.8 129.4 1.0 CB H:ASP145 3.7 71.2 1.0 C25 G:YBI301 4.0 52.6 1.0 C21 G:YBI301 4.0 140.9 1.0 SD H:MET149 4.2 65.0 1.0 OD1 H:ASP145 4.4 164.8 1.0 N H:ILE146 4.5 84.8 1.0 C20 G:YBI301 4.5 42.4 1.0 CE H:MET149 4.6 94.8 1.0 CZ2 H:TRP81 4.6 94.4 1.0 CG H:ASP145 4.6 59.4 1.0 C H:ASP145 4.7 79.3 1.0 CA H:ASP145 4.8 85.3 1.0 CA H:ILE146 5.0 95.7 1.0

C.Dong, X.Yan, Y.Li. Crystal Structure of 162 To Be Published.