Fluorine in PDB 5ueo: BRD4_BD2_A-1395017

The structure of BRD4_BD2_A-1395017, PDB code: 5ueo was solved by C.H.Park, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.20 / 1.85
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.003, 64.954, 75.453, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.5

The binding sites of Fluorine atom in the BRD4_BD2_A-1395017 (pdb code 5ueo). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the BRD4_BD2_A-1395017, PDB code: 5ueo:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the BRD4_BD2_A-1395017


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of BRD4_BD2_A-1395017 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:25.5 occ:1.00 F30 A:87G501 0.0 25.5 1.0 C14 A:87G501 1.3 23.6 1.0 C4 A:87G501 2.3 21.3 1.0 C6 A:87G501 2.3 20.0 1.0 H4 A:87G501 2.6 21.1 1.0 H6 A:87G501 2.6 20.6 1.0 CD A:GLU438 3.1 57.7 1.0 CG A:GLU438 3.3 37.4 1.0 SD A:MET442 3.3 26.3 1.0 OE2 A:GLU438 3.3 53.3 1.0 OE1 A:GLU438 3.4 48.6 1.0 O A:HOH622 3.5 67.4 1.0 O A:HOH698 3.5 47.3 1.0 CB A:GLU438 3.5 23.3 1.0 C15 A:87G501 3.6 23.0 1.0 C3 A:87G501 3.6 20.4 1.0 N A:VAL439 4.0 18.6 1.0 C13 A:87G501 4.1 19.1 1.0 C A:GLU438 4.1 21.8 1.0 O A:HOH686 4.1 40.9 1.0 CE A:MET442 4.3 22.3 1.0 CA A:VAL439 4.4 18.7 1.0 CA A:GLU438 4.5 21.1 1.0 H3 A:87G501 4.5 20.3 1.0 O A:GLU438 4.5 20.0 1.0 CB A:VAL439 4.7 21.9 1.0 F31 A:87G501 4.7 27.6 1.0 CG A:MET442 4.8 22.9 1.0

Fluorine binding site 2 out of 4 in the BRD4_BD2_A-1395017


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of BRD4_BD2_A-1395017 within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:27.6 occ:1.00 F31 A:87G501 0.0 27.6 1.0 C15 A:87G501 1.3 23.0 1.0 C6 A:87G501 2.4 20.0 1.0 C13 A:87G501 2.4 19.1 1.0 H6 A:87G501 2.6 20.6 1.0 O29 A:87G501 2.6 16.5 1.0 O A:HOH647 3.1 37.3 1.0 O A:HOH707 3.2 24.8 1.0 CE1 A:HIS437 3.2 27.7 1.0 H17 A:87G501 3.3 21.1 1.0 C14 A:87G501 3.6 23.6 1.0 C3 A:87G501 3.6 20.4 1.0 NE2 A:HIS437 3.7 27.8 1.0 C17 A:87G501 3.8 20.1 1.0 C12 A:87G501 4.0 17.4 1.0 C4 A:87G501 4.1 21.3 1.0 H18 A:87G501 4.2 20.0 1.0 C18 A:87G501 4.3 19.3 1.0 H2 A:87G501 4.3 17.0 1.0 ND1 A:HIS437 4.4 28.3 1.0 H3 A:87G501 4.5 20.3 1.0 C10 A:87G501 4.6 19.5 1.0 C2 A:87G501 4.6 16.9 1.0 O A:HOH686 4.7 40.9 1.0 F30 A:87G501 4.7 25.5 1.0 CB A:VAL439 4.8 21.9 1.0 C8 A:87G501 5.0 18.6 1.0

Fluorine binding site 3 out of 4 in the BRD4_BD2_A-1395017


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of BRD4_BD2_A-1395017 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:21.1 occ:1.00 F30 B:87G501 0.0 21.1 1.0 C14 B:87G501 1.3 20.1 1.0 C6 B:87G501 2.3 18.9 1.0 C4 B:87G501 2.4 20.1 1.0 H6 B:87G501 2.6 19.7 1.0 H4 B:87G501 2.6 18.6 1.0 CG B:GLU438 3.4 23.3 1.0 SD B:MET442 3.5 23.8 1.0 C15 B:87G501 3.6 21.5 1.0 C3 B:87G501 3.6 20.1 1.0 CB B:GLU438 3.7 16.8 1.0 O B:HOH692 4.0 52.7 1.0 C13 B:87G501 4.1 20.5 1.0 CE B:MET442 4.4 20.9 1.0 O B:HOH671 4.5 39.5 1.0 H3 B:87G501 4.5 20.8 1.0 C B:GLU438 4.5 18.5 1.0 N B:VAL439 4.6 14.7 1.0 CD B:GLU438 4.7 33.5 1.0 F31 B:87G501 4.7 25.9 1.0 CA B:GLU438 4.8 14.8 1.0 O B:GLU438 4.9 17.0 1.0 OE2 B:GLU438 4.9 29.3 1.0 CA B:VAL439 5.0 15.8 1.0 CG B:MET442 5.0 20.2 1.0

Fluorine binding site 4 out of 4 in the BRD4_BD2_A-1395017


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of BRD4_BD2_A-1395017 within 5.0Å range: probe atom residue distance (Å) B Occ B:F501 b:25.9 occ:1.00 F31 B:87G501 0.0 25.9 1.0 C15 B:87G501 1.3 21.5 1.0 C13 B:87G501 2.3 20.5 1.0 C6 B:87G501 2.4 18.9 1.0 O29 B:87G501 2.6 19.3 1.0 H6 B:87G501 2.6 19.7 1.0 H17 B:87G501 3.2 18.3 1.0 CE1 B:HIS437 3.2 19.1 1.0 C3 B:87G501 3.6 20.1 1.0 C14 B:87G501 3.6 20.1 1.0 C17 B:87G501 3.8 19.7 1.0 NE2 B:HIS437 3.9 19.2 1.0 C12 B:87G501 3.9 18.9 1.0 C4 B:87G501 4.1 20.1 1.0 H18 B:87G501 4.2 21.0 1.0 C18 B:87G501 4.3 21.2 1.0 ND1 B:HIS437 4.3 19.0 1.0 H2 B:87G501 4.3 18.5 1.0 H3 B:87G501 4.5 20.8 1.0 CB B:VAL439 4.5 19.1 1.0 C10 B:87G501 4.6 18.8 1.0 C2 B:87G501 4.6 18.8 1.0 F30 B:87G501 4.7 21.1 1.0 O B:HOH663 4.8 47.1 1.0 C8 B:87G501 4.9 17.5 1.0 C9 B:87G501 5.0 18.6 1.0 CG1 B:VAL439 5.0 18.3 1.0

C.H.Park, C.H.Park. N/A N/A.