Chlorine in PDB 8qjr: BRG1 Bromodomain in Complex with Vbc Via Compound 17

The structure of BRG1 Bromodomain in Complex with Vbc Via Compound 17, PDB code: 8qjr was solved by P.S.Kerry, A.J.Hole, J.I.Perez-Dorado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	80.64 / 3.17
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	167.68, 88.044, 84.978, 90, 105.89, 90
R / Rfree (%)	26.2 / 27.8

The binding sites of Chlorine atom in the BRG1 Bromodomain in Complex with Vbc Via Compound 17 (pdb code 8qjr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the BRG1 Bromodomain in Complex with Vbc Via Compound 17, PDB code: 8qjr:

Chlorine binding site 1 out of 1 in the BRG1 Bromodomain in Complex with Vbc Via Compound 17


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BRG1 Bromodomain in Complex with Vbc Via Compound 17 within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl201 b:54.1 occ:1.00 NH1 E:ARG82 3.2 63.6 1.0 NE E:ARG82 3.5 61.8 1.0 CZ E:ARG82 3.8 64.0 1.0 O D:ASP2 4.2 59.9 1.0 CE1 D:PHE4 4.3 60.8 1.0 OG D:SER64 4.6 73.0 1.0 N D:ASP2 4.7 59.8 1.0 CD E:ARG82 4.7 59.4 1.0 N D:MET1 4.7 59.9 1.0 CB D:ASP2 4.8 61.3 1.0 CB D:SER64 4.9 70.7 1.0 CZ D:PHE4 4.9 60.5 1.0 C D:ASP2 5.0 59.7 1.0 OH E:TYR83 5.0 60.1 1.0

M.Berlin, J.Cantley, M.Bookbinder, E.Bortolon, F.Broccatelli, G.Cadelina, E.W.Chan, H.Chen, X.Chen, Y.Cheng, T.K.Cheung, K.Davenport, D.Dinicola, D.Gordon, B.D.Hamman, A.Harbin, R.Haskell, M.He, A.J.Hole, T.Januario, P.S.Kerry, S.G.Koenig, L.Li, M.Merchant, I.Perez-Dorado, J.Pizzano, C.Quinn, C.M.Rose, E.Rousseau, L.Soto, L.R.Staben, H.Sun, Q.Tian, J.Wang, W.Wang, C.S.Ye, X.Ye, P.Zhang, Y.Zhou, R.Yauch, P.S.Dragovich. Protacs Targeting Brm (SMARCA2) Afford Selective in Vivo Degradation Over BRG1 (SMARCA4) and Are Active in BRG1 Mutant Xenograft Tumor Models. J.Med.Chem. 2024.
ISSN: ISSN 0022-2623
PubMed: 38180485
DOI: 10.1021/ACS.JMEDCHEM.3C01781