Fluorine in PDB 7wx2: Cbp-Brd Complexed with NEO2734

All present enzymatic activity of Cbp-Brd Complexed with NEO2734:
2.3.1.48;

The structure of Cbp-Brd Complexed with NEO2734, PDB code: 7wx2 was solved by L.Zeng, J.D.Lei, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	26.67 / 1.24
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.301, 49.745, 80.839, 90, 90, 90
R / Rfree (%)	18.1 / 20

The binding sites of Fluorine atom in the Cbp-Brd Complexed with NEO2734 (pdb code 7wx2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cbp-Brd Complexed with NEO2734, PDB code: 7wx2:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Cbp-Brd Complexed with NEO2734


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cbp-Brd Complexed with NEO2734 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:20.0 occ:1.00 F1 A:7OW1201 0.0 20.0 1.0 C17 A:7OW1201 1.3 16.4 1.0 F3 A:7OW1201 2.1 19.5 1.0 F2 A:7OW1201 2.1 16.2 1.0 O2 A:7OW1201 2.1 14.8 1.0 C16 A:7OW1201 2.8 14.2 1.0 CG A:PRO1110 3.4 12.7 1.0 CB A:PRO1110 3.5 12.5 1.0 CD A:PRO1110 3.6 11.3 1.0 N2 A:7OW1201 3.7 12.2 1.0 CD1 A:LEU1109 3.9 22.6 1.0 C15 A:7OW1201 3.9 12.4 1.0 C18 A:7OW1201 3.9 10.6 1.0 C9 A:7OW1201 4.1 14.1 1.0 CE2 A:PHE1177 4.3 9.0 1.0 C19 A:7OW1201 4.3 10.3 1.0 O A:HOH1377 4.3 20.6 1.0 N A:PRO1110 4.4 9.7 1.0 C8 A:7OW1201 4.5 10.8 1.0 CA A:PRO1110 4.5 10.6 1.0 CD2 A:PHE1177 4.5 8.4 1.0 CG2 A:VAL1174 4.6 9.4 1.0 N1 A:7OW1201 4.6 12.9 1.0 C10 A:7OW1201 4.8 18.2 1.0 C11 A:7OW1201 4.9 22.0 1.0 NH2 A:ARG1173 5.0 12.0 1.0

Fluorine binding site 2 out of 3 in the Cbp-Brd Complexed with NEO2734


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cbp-Brd Complexed with NEO2734 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:16.2 occ:1.00 F2 A:7OW1201 0.0 16.2 1.0 C17 A:7OW1201 1.3 16.4 1.0 F3 A:7OW1201 2.1 19.5 1.0 F1 A:7OW1201 2.1 20.0 1.0 O2 A:7OW1201 2.2 14.8 1.0 C16 A:7OW1201 2.8 14.2 1.0 NE A:ARG1173 3.2 9.7 1.0 CZ A:ARG1173 3.2 10.8 1.0 CB A:ARG1173 3.4 7.8 1.0 NH2 A:ARG1173 3.5 12.0 1.0 CD A:ARG1173 3.5 10.2 1.0 CE2 A:PHE1177 3.7 9.0 1.0 NH1 A:ARG1173 3.8 11.8 1.0 CG A:ARG1173 4.0 9.0 1.0 C15 A:7OW1201 4.2 12.4 1.0 CD2 A:PHE1177 4.3 8.4 1.0 CZ A:PHE1177 4.5 9.3 1.0 CG2 A:VAL1174 4.6 9.4 1.0 CA A:ARG1173 4.6 8.0 1.0 N A:VAL1174 4.7 7.4 1.0 C A:ARG1173 4.8 7.2 1.0 N2 A:7OW1201 4.8 12.2 1.0 CG A:PRO1110 4.8 12.7 1.0 O A:HOH1467 4.9 12.5 1.0 O A:HOH1377 4.9 20.6 1.0

Fluorine binding site 3 out of 3 in the Cbp-Brd Complexed with NEO2734


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cbp-Brd Complexed with NEO2734 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:19.5 occ:1.00 F3 A:7OW1201 0.0 19.5 1.0 C17 A:7OW1201 1.3 16.4 1.0 F2 A:7OW1201 2.1 16.2 1.0 F1 A:7OW1201 2.1 20.0 1.0 O2 A:7OW1201 2.2 14.8 1.0 O A:HOH1377 3.4 20.6 1.0 NH2 A:ARG1173 3.4 12.0 1.0 C16 A:7OW1201 3.5 14.2 1.0 CZ A:ARG1173 3.9 10.8 1.0 CE2 A:PHE1177 4.0 9.0 1.0 O A:HOH1385 4.2 27.1 1.0 NE A:ARG1173 4.4 9.7 1.0 CD A:ARG1173 4.4 10.2 1.0 C15 A:7OW1201 4.5 12.4 1.0 CD1 A:LEU1109 4.6 22.6 1.0 NH1 A:ARG1173 4.6 11.8 1.0 C11 A:7OW1201 4.6 22.0 1.0 N2 A:7OW1201 4.7 12.2 1.0 CZ A:PHE1177 4.8 9.3 1.0 C10 A:7OW1201 4.8 18.2 1.0 C9 A:7OW1201 4.9 14.1 1.0 CD2 A:PHE1177 4.9 8.4 1.0 CD A:PRO1110 5.0 11.3 1.0

D.Ji, G.Shang, E.Wei, Y.Jia, C.Wang, Q.Zhang, L.Zeng. Targeting CDCP1 Gene Transcription Coactivated By BRD4 and Cbp/P300 in Castration-Resistant Prostate Cancer. Oncogene V. 41 3251 2022.
ISSN: ESSN 1476-5594
PubMed: 35513563
DOI: 10.1038/S41388-022-02327-5