Chlorine in PDB 7rjq: Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3

The structure of Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3, PDB code: 7rjq was solved by E.Fedorov, K.Islam, A.Ghosh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.44 / 1.72
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	43.741, 57.115, 123.096, 90, 90, 90
R / Rfree (%)	17.9 / 22.3

The structure of Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3 also contains other interesting chemical elements:

Sodium

(Na)

5 atoms

The binding sites of Chlorine atom in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3 (pdb code 7rjq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3, PDB code: 7rjq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:29.7 occ:1.00 OG1 A:THR60 3.0 26.2 1.0 N A:ALA122 3.1 20.2 1.0 CA A:ASN121 3.6 16.8 1.0 OE1 A:GLN62 3.6 46.0 1.0 CB A:THR60 3.7 26.5 1.0 CB A:ASN121 3.7 18.7 1.0 CG2 A:THR60 3.7 24.4 1.0 C A:ASN121 3.8 16.2 1.0 CB A:ALA122 3.9 19.1 1.0 CB A:GLN62 4.0 29.6 1.0 CA A:ALA122 4.1 19.5 1.0 O A:HOH357 4.1 27.0 1.0 NH2 A:ARG58 4.4 28.0 1.0 CD A:GLN62 4.5 40.1 1.0 CG A:LEU63 4.6 17.2 1.0 O A:TRP120 4.6 19.3 1.0 CG A:GLN62 4.7 28.8 1.0 CD1 A:LEU63 4.8 17.9 1.0 N A:LEU63 4.8 18.3 1.0 N A:ASN121 4.9 18.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:67.2 occ:1.00 N A:ASN44 3.0 19.7 1.0 CA A:MET43 3.6 29.2 1.0 CG2 A:VAL90 3.7 26.2 1.0 CB A:MET43 3.8 31.1 1.0 C A:MET43 3.8 26.4 1.0 CB A:ASN44 3.8 19.7 1.0 CA A:ASN44 3.9 18.9 1.0 O A:ASN44 4.1 21.7 1.0 ND2 A:ASN44 4.1 20.4 1.0 CG A:ASN44 4.2 25.5 1.0 C A:ASN44 4.5 18.7 1.0 CG A:MET43 4.7 49.7 1.0 CE A:MET43 4.7 53.5 1.0 CB A:VAL90 4.9 23.1 1.0 N A:MET43 4.9 39.2 1.0 O A:MET43 5.0 23.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3


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 Human Bromodomain Containing Protein 4 (BRD4) in Complex with ILF3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:19.4 occ:1.00 N B:ALY101 3.1 15.2 1.0 O A:HOH352 3.2 18.3 1.0 N B:LEU103 3.4 14.3 1.0 N B:GLY102 3.6 18.1 1.0 CG B:LEU103 3.6 15.2 1.0 CB B:LEU103 3.7 16.9 1.0 CA B:ALY101 3.9 14.3 1.0 CD1 B:LEU103 3.9 17.0 1.0 CA B:ALA100 4.0 23.6 1.0 C B:ALA100 4.0 20.2 1.0 CB B:ALA100 4.0 29.0 1.0 C B:ALY101 4.0 15.0 1.0 CB B:ALY101 4.1 14.3 1.0 CA B:LEU103 4.2 17.1 1.0 CA B:GLY102 4.3 16.3 1.0 CB A:ILE146 4.3 14.3 1.0 C B:GLY102 4.4 14.0 1.0 CG2 A:ILE146 4.4 17.3 1.0 CG B:ALY101 4.7 17.5 1.0 CE B:ALY101 4.8 15.9 1.0 O A:HOH374 4.9 25.4 0.4 N B:LEU104 4.9 18.3 1.0

S.Wagner, E.Fedorov, B.Sudhamalla, H.N.Jnawali, R.Debiec, A.Ghosh, K.Islam. Uncovering the Bromodomain Interactome Using Site-Specific Azide-Acetyllysine Photochemistry, Proteomic Profiling and Structural Characterization To Be Published.