Chlorine in PDB 8qjt: Brm (SMARCA2) Bromodomain in Complex with Ligand 10

The structure of Brm (SMARCA2) Bromodomain in Complex with Ligand 10, PDB code: 8qjt 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)	55.21 / 2.57
Space group	P 31
Cell size a, b, c (Å), α, β, γ (°)	63.75, 63.75, 88.51, 90, 90, 120
R / Rfree (%)	20.3 / 26.3

The structure of Brm (SMARCA2) Bromodomain in Complex with Ligand 10 also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Brm (SMARCA2) Bromodomain in Complex with Ligand 10 (pdb code 8qjt). 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 Brm (SMARCA2) Bromodomain in Complex with Ligand 10, PDB code: 8qjt:

Chlorine binding site 1 out of 1 in the Brm (SMARCA2) Bromodomain in Complex with Ligand 10


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Brm (SMARCA2) Bromodomain in Complex with Ligand 10 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1502 b:67.6 occ:1.00 O B:HOH1614 3.1 46.3 1.0 N B:SER1400 3.4 55.1 1.0 CB B:ASP1399 3.6 53.7 1.0 OG B:SER1400 3.8 60.5 1.0 CB B:SER1400 3.9 57.4 1.0 CA B:ASP1399 4.0 53.4 1.0 C B:ASP1399 4.1 54.4 1.0 CA B:SER1400 4.3 56.2 1.0 OH B:TYR1397 4.4 59.1 1.0 CG B:ASP1399 4.7 58.0 1.0 O B:HOH1609 4.9 45.8 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