Chlorine in PDB 7aqt: NMR2 Structure of BRD4-BD2 in Complex with Ibet-762

The binding sites of Chlorine atom in the NMR2 Structure of BRD4-BD2 in Complex with Ibet-762 (pdb code 7aqt). 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 NMR2 Structure of BRD4-BD2 in Complex with Ibet-762, PDB code: 7aqt:

Chlorine binding site 1 out of 1 in the NMR2 Structure of BRD4-BD2 in Complex with Ibet-762


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of NMR2 Structure of BRD4-BD2 in Complex with Ibet-762 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:5.2 occ:1.00 CL A:EAM201 0.0 5.2 1.0 C10 A:EAM201 1.7 23.3 1.0 C11 A:EAM201 2.7 41.0 1.0 C9 A:EAM201 2.7 0.1 1.0 H11 A:EAM201 2.8 42.2 1.0 H9 A:EAM201 2.9 71.5 1.0 C12 A:EAM201 4.0 34.3 1.0 C8 A:EAM201 4.0 41.3 1.0 C7 A:EAM201 4.6 51.3 1.0 OE1 A:GLU91 4.7 23.5 1.0 H12 A:EAM201 4.8 65.4 1.0 H8 A:EAM201 4.9 73.1 1.0

F.Torres, R.Walser, J.Kaderli, E.Rossi, R.Bobby, M.J.Packer, S.Sarda, G.Walker, J.R.Hitchin, A.G.Milbradt, J.Orts. uc(Nmr) Molecular Replacement Provides New Insights Into Binding Modes to Bromodomains of BRD4 and TRIM24. J.Med.Chem. V. 65 5565 2022.
ISSN: ISSN 0022-2623
PubMed: 35357834
DOI: 10.1021/ACS.JMEDCHEM.1C01703