Chlorine in PDB 6ytm: Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome

The structure of Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome, PDB code: 6ytm was solved by A.G.Bond, A.Ciulli, A.D.Cowan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.12 / 1.56
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.050, 50.530, 130.490, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.4

The binding sites of Chlorine atom in the Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome (pdb code 6ytm). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome, PDB code: 6ytm:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:26.9 occ:1.00 CL1 A:PMW501 0.0 26.9 1.0 C26 A:PMW501 1.8 18.6 1.0 C28 A:PMW501 2.7 17.9 1.0 C25 A:PMW501 2.8 18.0 1.0 CB A:ASP434 3.8 23.3 1.0 C29 A:PMW501 4.0 15.9 1.0 C24 A:PMW501 4.1 20.1 1.0 SD A:MET438 4.1 27.7 1.0 OD2 A:ASP434 4.3 48.9 1.0 C23 A:PMW501 4.6 17.8 1.0 CG A:ASP434 4.6 37.5 1.0 CZ2 A:TRP370 4.6 20.9 1.0 C A:ASP434 4.9 13.7 1.0 N A:VAL435 4.9 14.9 1.0 CE A:MET438 4.9 35.0 1.0 CA A:ASP434 5.0 16.2 1.0

Chlorine binding site 2 out of 2 in the Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human BRD2(BD2) L383V Mutant in Complex with Et-JQ1-Ome within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl501 b:30.9 occ:1.00 CL1 B:PMW501 0.0 30.9 1.0 C26 B:PMW501 1.7 22.0 1.0 C28 B:PMW501 2.7 19.6 1.0 C25 B:PMW501 2.7 24.8 1.0 CB B:ASP434 3.6 23.3 1.0 C29 B:PMW501 4.0 21.1 1.0 C24 B:PMW501 4.0 24.7 1.0 SD B:MET438 4.2 27.9 1.0 CG B:ASP434 4.3 42.7 1.0 OD2 B:ASP434 4.5 54.4 1.0 C23 B:PMW501 4.5 22.0 1.0 CZ2 B:TRP370 4.7 26.9 1.0 C B:ASP434 4.8 15.7 1.0 CA B:ASP434 4.9 22.8 1.0

A.G.Bond, A.Testa, A.Ciulli. Stereoselective Synthesis of Allele-Specific Bet Inhibitors Chemrxiv 2020.
DOI: 10.26434/CHEMRXIV.12317354.V1