Chlorine in PDB 6yqw: BRD9 with 4-Chloro-2-Methyl-Methylamino-Pyridazinone

The structure of BRD9 with 4-Chloro-2-Methyl-Methylamino-Pyridazinone, PDB code: 6yqw was solved by C.Chung, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.98 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	24.566, 33.928, 39.623, 70.45, 73.63, 74.39
R / Rfree (%)	23.9 / 27.6

The binding sites of Chlorine atom in the BRD9 with 4-Chloro-2-Methyl-Methylamino-Pyridazinone (pdb code 6yqw). 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 BRD9 with 4-Chloro-2-Methyl-Methylamino-Pyridazinone, PDB code: 6yqw:

Chlorine binding site 1 out of 1 in the BRD9 with 4-Chloro-2-Methyl-Methylamino-Pyridazinone


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BRD9 with 4-Chloro-2-Methyl-Methylamino-Pyridazinone within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:5.3 occ:1.00 CL1 A:82I201 0.0 5.3 1.0 C18 A:82I201 1.7 6.7 1.0 C16 A:82I201 2.7 4.8 1.0 C07 A:82I201 2.7 6.6 1.0 O17 A:82I201 2.9 5.0 1.0 N05 A:82I201 3.1 5.5 1.0 CE1 A:PHE45 3.5 11.3 1.0 O A:PHE44 3.6 4.6 1.0 CD1 A:PHE45 3.8 10.0 1.0 O A:HOH311 3.8 3.5 1.0 O A:HOH331 3.9 9.3 1.0 CG2 A:VAL49 3.9 5.8 1.0 N11 A:82I201 3.9 8.1 1.0 C08 A:82I201 4.0 7.0 1.0 CD1 A:TYR106 4.1 7.9 1.0 CZ A:PHE45 4.1 11.1 1.0 CG A:TYR106 4.3 6.7 1.0 C A:PHE44 4.3 6.1 1.0 O A:HOH351 4.4 5.7 1.0 CB A:TYR106 4.5 5.4 1.0 C01 A:82I201 4.5 4.8 1.0 N10 A:82I201 4.5 9.1 1.0 CG A:PHE45 4.6 6.0 1.0 CE1 A:TYR106 4.6 9.2 1.0 CB A:PHE44 4.6 4.0 1.0 O A:HOH327 4.6 4.7 1.0 CB A:ALA96 4.8 3.0 1.0 CE2 A:PHE45 4.9 13.3 1.0 CD2 A:TYR106 4.9 8.4 1.0

M.A.Clegg, P.Bamborough, C.W.Chung, P.D.Craggs, L.Gordon, P.Grandi, M.Leveridge, M.Lindon, G.M.Liwicki, A.M.Michon, J.Molnar, I.Rioja, P.E.Soden, N.H.Theodoulou, T.Werner, N.C.O.Tomkinson, R.K.Prinjha, P.G.Humphreys. Application of Atypical Acetyl-Lysine Methyl Mimetics in the Development of Selective Inhibitors of the Bromodomain-Containing Protein 7 (BRD7)/Bromodomain-Containing Protein 9 (BRD9) Bromodomains. J.Med.Chem. V. 63 5816 2020.
ISSN: ISSN 0022-2623
PubMed: 32410449
DOI: 10.1021/ACS.JMEDCHEM.0C00075