Fluorine in PDB 5fyt: Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A)

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A), PDB code: 5fyt was solved by R.Nowak, T.Krojer, C.Johansson, N.Pearce, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, F.Von Delft, P.E.Brennan, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	70.91 / 1.87
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.810, 141.810, 151.830, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 22.2

The structure of Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A) also contains other interesting chemical elements:

Manganese	(Mn)	1 atom
Zinc	(Zn)	2 atoms
Chlorine	(Cl)	1 atom

The binding sites of Fluorine atom in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A) (pdb code 5fyt). 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 the Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A), PDB code: 5fyt:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A)


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 Catalytic Domain of Human JARID1B in Complex with 3D Fragment (5-Fluoro-2-Oxo-2,3-Dihydro-1H-Indol-3-Yl)Acetic Acid (N09996A) within 5.0Å range: probe atom residue distance (Å) B Occ A:F1757 b:44.0 occ:0.89 F11 A:WQS1757 0.0 44.0 0.9 C08 A:WQS1757 1.3 37.4 0.9 C09 A:WQS1757 2.4 30.6 0.9 C07 A:WQS1757 2.4 27.2 0.9 O A:HOH2090 2.8 43.5 1.0 O A:HOH2093 2.8 46.5 1.0 O A:HOH2095 2.9 48.9 1.0 O A:HOH2188 3.3 50.0 1.0 O A:HOH2359 3.4 53.9 1.0 O A:HOH2193 3.6 44.3 1.0 C10 A:WQS1757 3.6 29.0 0.9 C06 A:WQS1757 3.7 28.8 0.9 O A:HOH2196 4.0 30.4 1.0 CE1 A:HIS499 4.1 31.0 1.0 C05 A:WQS1757 4.2 28.7 0.9 O A:HOH2043 4.2 55.0 1.0 NE2 A:HIS499 4.2 29.1 1.0 OH A:TYR488 4.2 31.2 1.0 ND1 A:HIS499 4.4 28.6 1.0 CD2 A:HIS499 4.6 28.4 1.0 CB A:PHE496 4.7 25.6 1.0 CG A:HIS499 4.8 27.8 1.0 O14 A:WQS1757 4.8 25.2 0.9 O A:DMS1776 4.9 34.5 1.0 CG1 A:VAL99 4.9 52.9 1.0 CZ A:TYR488 4.9 30.9 1.0

R.Nowak, T.Krojer, C.Johansson, C.Gileadi, K.Kupinska, C.Strain-Damerell, A.Szykowska, F.Von Delft, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann. Crystal Structure of the Catalytic Domain of Human JARID1B in Complex with N09996A To Be Published.