Chlorine in PDB 5e0r: Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc

The structure of Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc, PDB code: 5e0r was solved by J.Dong, A.Caflisch, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.98 / 1.35
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	36.776, 44.538, 77.964, 90.00, 90.00, 90.00
R / Rfree (%)	17.1 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc (pdb code 5e0r). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc, PDB code: 5e0r:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc


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 First Bromodomain of BRD4 in Complex with Ayc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:21.0 occ:1.00 CL A:5J5201 0.0 21.0 1.0 C1 A:5J5201 1.8 17.9 1.0 C A:5J5201 2.8 16.3 1.0 N A:5J5201 2.9 17.6 1.0 OE1 A:GLU167 3.5 29.7 1.0 O6 A:5J5201 3.5 21.1 1.0 CD A:GLU167 3.5 29.7 1.0 CB A:GLU167 3.6 21.2 1.0 OE1 A:GLN62 3.7 16.6 1.0 OE2 A:GLU167 3.7 26.6 1.0 O A:HOH357 3.8 22.0 1.0 O A:5J5201 3.9 16.5 1.0 CG A:GLU167 4.1 25.3 1.0 C2 A:5J5201 4.2 16.0 1.0 O4 A:5J5201 4.2 23.1 1.0 NE2 A:GLN62 4.3 15.8 1.0 CD A:GLN62 4.3 14.7 1.0 S1 A:5J5201 4.4 18.8 1.0 O A:HOH342 4.7 16.1 1.0 C13 A:5J5201 4.8 15.1 1.0 CA A:GLU167 4.9 17.5 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc


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 First Bromodomain of BRD4 in Complex with Ayc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:37.3 occ:1.00 CL A:5J5202 0.0 37.3 1.0 C1 A:5J5202 1.8 45.0 1.0 O A:HOH438 2.7 30.5 1.0 O A:PRO86 2.8 10.1 1.0 C A:5J5202 3.0 44.5 1.0 O A:HOH425 3.0 27.1 1.0 CG A:GLN85 3.6 11.2 1.0 O A:5J5202 3.7 60.3 1.0 CB A:GLN85 3.7 10.0 1.0 C A:PRO86 3.8 8.3 1.0 N A:5J5202 3.8 14.0 1.0 N A:PRO86 3.8 8.2 1.0 CD A:PRO86 3.9 12.7 1.0 CB A:PRO86 4.1 9.4 1.0 CA A:PRO86 4.2 9.0 1.0 C A:GLN85 4.3 9.0 1.0 CB A:ASP88 4.4 10.4 1.0 O A:HOH331 4.5 22.3 1.0 CG A:PRO86 4.5 12.6 1.0 N A:ASP88 4.6 9.4 1.0 CA A:GLN85 4.6 8.9 1.0 O A:HOH446 4.7 30.2 1.0 O A:HOH394 4.7 15.2 1.0 O A:HOH430 4.8 34.3 1.0 CA A:ASP88 4.9 10.4 1.0 C A:VAL87 4.9 9.2 1.0 O A:GLN85 4.9 9.1 1.0 N A:VAL87 4.9 9.2 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc


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 First Bromodomain of BRD4 in Complex with Ayc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:68.5 occ:1.00 CL A:5J5203 0.0 68.5 1.0 C1 A:5J5203 1.8 64.8 1.0 C A:5J5203 2.7 57.6 1.0 O A:5J5203 2.7 60.5 1.0 O A:HOH358 2.8 17.5 1.0 CB A:TYR137 3.9 12.0 1.0 N A:5J5203 3.9 35.4 1.0 CG A:TYR137 4.2 9.9 1.0 CG A:PRO142 4.2 18.9 1.0 CD1 A:TYR137 4.3 11.3 1.0 O A:TYR137 4.4 14.7 1.0 O A:HOH303 4.5 32.6 1.0 CB A:PRO142 4.5 17.6 1.0 CA A:TYR137 4.5 8.4 1.0 CG1 A:VAL147 4.5 10.8 1.0 C2 A:5J5203 4.5 23.0 1.0 CA A:PRO142 4.7 13.8 1.0 O4 A:5J5203 4.7 20.4 1.0 C A:TYR137 4.9 13.2 1.0 C3 A:5J5203 4.9 18.6 1.0 CD2 A:TYR137 5.0 12.8 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc


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 First Bromodomain of BRD4 in Complex with Ayc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:55.5 occ:1.00 CL A:5J5204 0.0 55.5 1.0 C1 A:5J5204 1.8 55.2 1.0 C A:5J5204 2.8 53.9 1.0 O A:5J5204 2.8 56.4 1.0 CB A:PRO53 4.0 11.8 1.0 N A:5J5204 4.0 45.8 1.0 O A:HOH359 4.5 40.0 1.0 C A:PRO53 4.7 11.9 1.0 CG A:PRO53 4.7 14.4 1.0 O A:HOH306 4.8 50.1 1.0 O A:PRO53 4.8 14.9 1.0 N A:ASN54 5.0 11.3 1.0 C2 A:5J5204 5.0 40.1 1.0 C3 A:5J5204 5.0 32.7 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:72.5 occ:1.00 CL A:5J5205 0.0 72.5 1.0 C1 A:5J5205 1.8 67.0 1.0 C A:5J5205 2.7 61.3 1.0 O6 A:5J5205 3.0 31.1 1.0 O A:5J5205 3.1 68.1 1.0 N A:5J5205 3.8 38.3 1.0 S1 A:5J5205 4.1 27.9 1.0 C2 A:5J5205 4.2 24.7 1.0 CG A:LYS141 4.3 21.9 1.0 CD A:PRO142 4.3 20.3 1.0 C13 A:5J5205 4.3 24.3 1.0 CA A:LYS141 4.3 16.1 1.0 CB A:LYS141 4.5 17.6 1.0 O4 A:5J5205 4.9 36.4 1.0 C3 A:5J5205 5.0 23.5 1.0

J.Dong, A.Caflish. Crystal Structure of the First Bromodomain of BRD4 in Complex with Ayc To Be Published.