Fluorine in PDB 5rag: Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A, PDB code: 5rag was solved by M.Snee, R.Nowak, C.Johansson, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.66 / 1.52
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.660, 93.750, 93.500, 90.00, 107.69, 90.00
R / Rfree (%)	18.2 / 20.2

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Chlorine	(Cl)	5 atoms

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A (pdb code 5rag). 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 Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A, PDB code: 5rag:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of JMJD1B in Complex with FM001767A within 5.0Å range: probe atom residue distance (Å) B Occ A:F1801 b:16.8 occ:0.59 F1 A:O3G1801 0.0 16.8 0.6 C1 A:O3G1801 1.3 14.3 0.6 C14 A:O3G1801 2.4 15.1 0.6 C2 A:O3G1801 2.4 13.7 0.6 CB A:ASN1400 3.4 20.4 0.6 C13 A:O3G1801 3.6 14.1 0.6 OD1 A:ASN1398 3.7 20.3 1.0 C3 A:O3G1801 3.7 13.7 0.6 O A:ASN1400 3.9 17.3 0.6 C A:ASN1400 4.0 17.7 0.6 CD1 A:ILE1404 4.0 17.6 1.0 O A:HOH2002 4.0 22.2 0.6 C4 A:O3G1801 4.2 14.4 0.6 CA A:ASN1400 4.2 18.3 0.6 CG A:ASN1398 4.2 18.9 1.0 N A:ASN1401 4.5 16.1 1.0 CG A:ASN1400 4.7 22.3 0.6 CB A:SER1381 4.8 15.7 0.6 N A:ASN1400 4.8 18.1 0.6 ND2 A:ASN1398 4.8 19.7 1.0 CG1 A:ILE1404 4.8 16.2 1.0 ND2 A:ASN1400 4.9 21.8 0.6 OD1 A:ASN1401 5.0 16.8 1.0

M.Snee, R.Nowak, C.Johansson, N.A.Burgess-Brown, C.H.Arrowsmith, C.Bountra, A.M.Edwards, U.Oppermann. Pandda Analysis Group Deposition of Human JMJD1B Screened Against the Dspl Fragment Library To Be Published.