Fluorine in PDB 7xne: Crystal Structure of Cbp Bromodomain Liganded with Y08284

All present enzymatic activity of Crystal Structure of Cbp Bromodomain Liganded with Y08284:
2.3.1.48;

The structure of Crystal Structure of Cbp Bromodomain Liganded with Y08284, PDB code: 7xne was solved by Q.Xiang, C.Wang, T.Wu, C.Zhang, Q.Hu, G.Luo, J.Hu, X.Zhuang, L.Zou, H.Shen, X.Wu, Y.Zhang, X.Kong, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.04 / 2.17
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.385, 63.267, 97.288, 90, 90, 90
R / Rfree (%)	19.9 / 25.9

The binding sites of Fluorine atom in the Crystal Structure of Cbp Bromodomain Liganded with Y08284 (pdb code 7xne). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of Cbp Bromodomain Liganded with Y08284, PDB code: 7xne:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Crystal Structure of Cbp Bromodomain Liganded with Y08284


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Cbp Bromodomain Liganded with Y08284 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:41.6 occ:1.00 FAZ A:GHF1201 0.0 41.6 1.0 CAW A:GHF1201 1.3 38.7 1.0 CAP A:GHF1201 2.4 36.8 1.0 CAV A:GHF1201 2.4 38.2 1.0 NAO A:GHF1201 2.7 37.2 1.0 CBF A:GHF1201 2.7 46.8 1.0 OAN A:GHF1201 2.8 42.5 1.0 CBA A:GHF1201 2.8 42.8 1.0 CAM A:GHF1201 2.9 41.5 1.0 CBC B:GHF1201 3.2 40.2 1.0 CG A:PRO1110 3.5 42.8 1.0 CAU A:GHF1201 3.6 37.7 1.0 CAS A:GHF1201 3.6 35.7 1.0 CA A:PRO1110 3.7 41.9 1.0 CBI B:GHF1201 3.7 46.5 1.0 NBD B:GHF1201 3.7 46.0 1.0 CB A:PRO1110 3.7 43.4 1.0 CBA B:GHF1201 3.8 42.2 1.0 CAI A:GHF1201 3.8 44.7 1.0 N A:PRO1110 4.0 41.2 1.0 CBH B:GHF1201 4.0 45.6 1.0 NBE A:GHF1201 4.1 44.4 1.0 CD A:PRO1110 4.1 41.4 1.0 CAT A:GHF1201 4.1 36.8 1.0 CBC A:GHF1201 4.2 43.3 1.0 CBG B:GHF1201 4.2 44.4 1.0 CAV B:GHF1201 4.2 38.1 1.0 CAU B:GHF1201 4.3 35.5 1.0 CAH A:GHF1201 4.4 41.5 1.0 C A:LEU1109 4.5 41.6 1.0 NBE B:GHF1201 4.5 44.2 1.0 CBF B:GHF1201 4.5 45.4 1.0 O A:LEU1109 4.6 37.1 1.0 CAF A:GHF1201 4.7 45.1 1.0 NBD A:GHF1201 4.7 44.6 1.0 CG2 A:VAL1174 4.8 48.1 1.0

Fluorine binding site 2 out of 2 in the Crystal Structure of Cbp Bromodomain Liganded with Y08284


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Cbp Bromodomain Liganded with Y08284 within 5.0Å range: probe atom residue distance (Å) B Occ B:F1201 b:45.0 occ:1.00 FAZ B:GHF1201 0.0 45.0 1.0 CAW B:GHF1201 1.3 39.4 1.0 CAP B:GHF1201 2.3 39.7 1.0 CAV B:GHF1201 2.4 38.1 1.0 OAN B:GHF1201 2.6 41.8 1.0 NAO B:GHF1201 2.7 40.0 1.0 CBF B:GHF1201 2.7 45.4 1.0 CAM B:GHF1201 2.8 40.4 1.0 CBA B:GHF1201 2.8 42.2 1.0 CBC A:GHF1201 3.2 43.3 1.0 CG B:PRO1110 3.5 43.0 1.0 CA B:PRO1110 3.6 40.2 1.0 CAU B:GHF1201 3.6 35.5 1.0 CAS B:GHF1201 3.6 38.9 1.0 CBI A:GHF1201 3.6 41.9 1.0 CB B:PRO1110 3.6 42.1 1.0 NBD A:GHF1201 3.7 44.6 1.0 CAI B:GHF1201 3.8 42.3 1.0 CBA A:GHF1201 3.8 42.8 1.0 N B:PRO1110 3.9 42.1 1.0 NBE B:GHF1201 4.0 44.2 1.0 CD B:PRO1110 4.1 43.1 1.0 CAT B:GHF1201 4.1 36.5 1.0 CBH A:GHF1201 4.1 45.9 1.0 CBG A:GHF1201 4.2 44.9 1.0 CBC B:GHF1201 4.2 40.2 1.0 CAV A:GHF1201 4.2 38.2 1.0 CAU A:GHF1201 4.3 37.7 1.0 CAH B:GHF1201 4.4 41.3 1.0 C B:LEU1109 4.4 42.1 1.0 NBE A:GHF1201 4.5 44.4 1.0 CBF A:GHF1201 4.6 46.8 1.0 CAF B:GHF1201 4.7 41.4 1.0 O B:LEU1109 4.7 39.4 1.0 NBD B:GHF1201 4.7 46.0 1.0 CG2 B:VAL1174 4.7 50.9 1.0 C B:PRO1110 5.0 37.7 1.0

Q.Xiang, C.Wang, T.Wu, C.Zhang, Q.Hu, G.Luo, J.Hu, X.Zhuang, L.Zou, H.Shen, X.Wu, Y.Zhang, X.Kong, J.Liu, Y.Xu. Design, Synthesis, and Biological Evaluation of 1-(Indolizin-3-Yl)Ethan-1-Ones As Cbp Bromodomain Inhibitors For the Treatment of Prostate Cancer. J.Med.Chem. V. 65 785 2022.
ISSN: ISSN 0022-2623
PubMed: 34962793
DOI: 10.1021/ACS.JMEDCHEM.1C01864