Fluorine in PDB 7evj: Crystal Structure of Cbp Bromodomain Liganded with 9C

All present enzymatic activity of Crystal Structure of Cbp Bromodomain Liganded with 9C:
2.3.1.48;

The structure of Crystal Structure of Cbp Bromodomain Liganded with 9C, PDB code: 7evj was solved by Q.Xiang, C.Wang, T.Wu, Y.Zhang, C.Zhang, G.Luo, X.Wu, H.Shen, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	56.18 / 2.57
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	79.45, 79.45, 45.11, 90, 90, 90
R / Rfree (%)	18.7 / 20.9

The binding sites of Fluorine atom in the Crystal Structure of Cbp Bromodomain Liganded with 9C (pdb code 7evj). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Crystal Structure of Cbp Bromodomain Liganded with 9C, PDB code: 7evj:

Fluorine binding site 1 out of 1 in the Crystal Structure of Cbp Bromodomain Liganded with 9C


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 9C within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:33.6 occ:1.00 FAY A:JE91201 0.0 33.6 1.0 CAS A:JE91201 1.3 35.7 1.0 CAT A:JE91201 2.4 36.5 1.0 CAR A:JE91201 2.4 35.1 1.0 NAQ A:JE91201 2.7 36.3 1.0 OAP A:JE91201 2.7 38.1 1.0 CAZ A:JE91201 2.7 37.9 1.0 CAO A:JE91201 2.8 38.9 1.0 CAX A:JE91201 2.8 37.3 1.0 CB A:PRO1110 3.4 30.7 1.0 CG A:PRO1110 3.5 29.7 1.0 CAU A:JE91201 3.6 36.3 1.0 CAW A:JE91201 3.6 35.0 1.0 CAI A:JE91201 3.8 37.8 1.0 CA A:PRO1110 3.8 30.0 1.0 NBA A:JE91201 4.0 37.7 1.0 CAV A:JE91201 4.1 37.9 1.0 CBC A:JE91201 4.2 36.9 1.0 N A:PRO1110 4.2 30.2 1.0 CG2 A:VAL1174 4.4 38.9 1.0 CAH A:JE91201 4.4 37.0 1.0 CD A:PRO1110 4.4 29.9 1.0 CAF A:JE91201 4.7 39.2 1.0 NBB A:JE91201 4.8 38.6 1.0 C A:LEU1109 5.0 33.4 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