Fluorine in PDB 7l9j: Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280

Protein crystallography data

The structure of Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280, PDB code: 7l9j was solved by M.R.Karim, M.J.Bikowitz, E.Schonbrunn, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.36 / 1.85
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 52.33, 72.148, 31.938, 90, 90, 90
R / Rfree (%) 16.2 / 20.6

Other elements in 7l9j:

The structure of Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280 also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280 (pdb code 7l9j). 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 the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280, PDB code: 7l9j:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 7l9j

Go back to Fluorine Binding Sites List in 7l9j
Fluorine binding site 1 out of 2 in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280


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 the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:14.2
occ:1.00
F19 A:79C501 0.0 14.2 1.0
C18 A:79C501 1.4 13.3 1.0
F20 A:79C501 2.2 14.2 1.0
C16 A:79C501 2.3 14.3 1.0
C21 A:79C501 2.4 16.9 1.0
O17 A:79C501 2.5 13.3 1.0
CD2 A:TYR428 3.2 10.4 1.0
CE1 A:TYR386 3.5 10.4 1.0
ND2 A:ASN429 3.6 13.0 1.0
OD1 A:ASN429 3.6 12.3 1.0
N14 A:79C501 3.6 13.6 1.0
N22 A:79C501 3.7 16.3 1.0
CE2 A:TYR428 3.7 9.8 1.0
CD1 A:LEU383 3.8 12.5 1.0
CD1 A:TYR386 3.9 9.9 1.0
CG A:TYR428 4.0 9.3 1.0
CG A:ASN429 4.0 14.9 1.0
O A:HOH602 4.2 9.6 1.0
C13 A:79C501 4.3 13.9 1.0
C28 A:79C501 4.3 13.8 1.0
CB A:TYR428 4.4 8.9 1.0
CZ A:TYR386 4.6 9.4 1.0
CZ A:TYR428 4.7 13.4 1.0
C15 A:79C501 4.7 13.7 1.0
C23 A:79C501 4.8 16.4 1.0
CG1 A:VAL376 4.8 12.5 1.0
CG2 A:VAL376 4.9 8.6 1.0
OH A:TYR386 5.0 9.7 1.0
CD1 A:TYR428 5.0 9.6 1.0

Fluorine binding site 2 out of 2 in 7l9j

Go back to Fluorine Binding Sites List in 7l9j
Fluorine binding site 2 out of 2 in the Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280


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 the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F501

b:14.2
occ:1.00
F20 A:79C501 0.0 14.2 1.0
C18 A:79C501 1.4 13.3 1.0
F19 A:79C501 2.2 14.2 1.0
C21 A:79C501 2.3 16.9 1.0
C16 A:79C501 2.3 14.3 1.0
C13 A:79C501 2.9 13.9 1.0
N14 A:79C501 2.9 13.6 1.0
C28 A:79C501 3.0 13.8 1.0
N22 A:79C501 3.1 16.3 1.0
CD1 A:LEU383 3.2 12.5 1.0
CG1 A:VAL376 3.3 12.5 1.0
O17 A:79C501 3.3 13.3 1.0
CG2 A:VAL376 3.5 8.6 1.0
C12 A:79C501 3.7 17.1 1.0
N29 A:79C501 3.8 16.0 1.0
CD1 A:LEU381 4.0 15.2 1.0
CB A:VAL376 4.0 9.1 1.0
C23 A:79C501 4.2 16.4 1.0
CE1 A:TYR386 4.2 10.4 1.0
C24 A:79C501 4.3 16.5 1.0
C15 A:79C501 4.3 13.7 1.0
N11 A:79C501 4.4 14.9 1.0
C10 A:79C501 4.5 14.2 1.0
CD1 A:TYR386 4.5 9.9 1.0
CG A:LEU383 4.8 13.9 1.0
CZ A:TYR386 4.9 9.4 1.0
O A:HOH602 4.9 9.6 1.0
CA A:VAL376 5.0 10.3 1.0

Reference:

M.R.Karim, M.J.Bikowitz, E.Schonbrunn. Crystal Structure of the Second Bromodomain (BD2) of Human BRD2 Bound to RO3280 To Be Published.
Page generated: Sat Jul 10 14:17:38 2021

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