Chlorine in PDB 6i80: Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53

The structure of Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53, PDB code: 6i80 was solved by S.Picaud, R.Traquete, G.J.L.Bernardes, J.Newman, C.H.Arrowsmith, A.M.Edwards, C.Bountra, P.Filippakopoulos, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.66 / 1.14
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.409, 66.720, 129.613, 90.00, 90.00, 90.00
R / Rfree (%)	13.1 / 14.3

The binding sites of Chlorine atom in the Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53 (pdb code 6i80). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53, PDB code: 6i80:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53


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 Second Bromodomain of BRD2 in Complex with RT53 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:15.6 occ:1.00 CL1 A:H7B501 0.0 15.6 1.0 C18 A:H7B501 1.6 11.9 1.0 C19 A:H7B501 2.7 13.8 1.0 C17 A:H7B501 2.7 12.4 1.0 O A:HOH744 3.7 40.9 1.0 CB A:ASP434 3.9 15.8 1.0 O A:HOH727 3.9 41.4 1.0 C16 A:H7B501 4.0 11.6 1.0 C20 A:H7B501 4.0 13.2 1.0 SD A:MET438 4.1 24.6 1.0 CZ2 A:TRP370 4.5 12.8 1.0 C15 A:H7B501 4.5 11.4 1.0 OD2 A:ASP434 4.6 28.9 1.0 CH2 A:TRP370 4.7 13.5 1.0 N A:VAL435 4.8 11.5 1.0 O A:HOH663 4.8 17.8 1.0 CE A:MET438 4.8 21.3 1.0 CG A:ASP434 4.8 19.9 1.0 C A:ASP434 4.8 12.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53


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 Second Bromodomain of BRD2 in Complex with RT53 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:16.6 occ:1.00 CL1 B:H7B501 0.0 16.6 1.0 C18 B:H7B501 1.6 13.3 1.0 C17 B:H7B501 2.6 16.3 1.0 C19 B:H7B501 2.7 14.1 1.0 CE B:MET438 3.6 18.8 1.0 O B:HOH741 3.7 23.9 1.0 CB B:ASP434 3.7 19.4 1.0 OD2 B:ASP434 3.9 31.7 1.0 C16 B:H7B501 4.0 16.1 1.0 C20 B:H7B501 4.0 13.2 1.0 SD B:MET438 4.3 18.5 1.0 CZ2 B:TRP370 4.4 15.8 1.0 CG B:ASP434 4.4 25.4 1.0 C15 B:H7B501 4.5 12.9 1.0 O B:HOH781 4.9 19.1 1.0 CH2 B:TRP370 4.9 15.4 1.0 C B:ASP434 5.0 13.2 1.0 O B:HOH739 5.0 35.8 1.0 N B:VAL435 5.0 12.8 1.0

S.Picaud, R.Traquete, G.J.L.Bernardes, J.Newman, C.H.Arrowsmith, A.M.Edwards, C.Bountra, P.Filippakopoulos, Structural Genomics Consortium (Sgc). Crystal Structure of the Second Bromodomain of BRD2 in Complex with RT53 To Be Published.