Fluorine in PDB 5ph1: Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09449A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09449A, PDB code: 5ph1 was solved by N.M.Pearce, T.Krojer, R.Talon, A.R.Bradley, M.Fairhead, R.Sethi, N.Wright, E.Maclean, P.Collins, J.Brandao-Neto, A.Douangamath, Z.Renjie, A.Dias, M.Vollmar, J.Ng, A.Szykowska, N.Burgess-Brown, P.E.Brennan, O.Cox, U.Oppermann, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.35 / 1.25
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.314, 71.314, 150.095, 90.00, 90.00, 90.00
R / Rfree (%)	13.2 / 16.2

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09449A also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Fluorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09449A (pdb code 5ph1). 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 JMJD2D in Complex with N09449A, PDB code: 5ph1:

Fluorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09449A


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 JMJD2D in Complex with N09449A within 5.0Å range: probe atom residue distance (Å) B Occ A:F415 b:47.8 occ:0.39 F10 A:FBB415 0.0 47.8 0.4 C5 A:FBB415 1.4 48.3 0.4 C4 A:FBB415 2.4 48.1 0.4 C6 A:FBB415 2.4 48.7 0.4 CB A:TRP336 2.5 40.7 0.5 CG A:ARG332 2.5 33.6 0.5 OG A:SER311 2.9 32.5 0.5 CA A:TRP336 3.0 42.7 0.5 CD A:ARG332 3.1 44.5 0.5 O A:HOH513 3.2 57.4 1.0 CG A:TRP336 3.3 39.0 0.5 N A:TRP336 3.4 40.3 0.5 O A:ARG332 3.4 20.5 0.5 CD1 A:TRP336 3.5 39.0 0.5 CB A:GLN309 3.5 21.4 1.0 C3 A:FBB415 3.6 47.7 0.4 C1 A:FBB415 3.6 48.7 0.4 CG A:GLN309 3.9 21.5 1.0 CB A:ARG332 3.9 15.7 0.5 CB A:ARG332 3.9 19.6 0.5 C2 A:FBB415 4.2 48.3 0.4 O A:ARG332 4.2 15.8 0.5 C A:ARG332 4.2 19.5 0.5 CB A:SER311 4.3 30.1 0.5 C A:LEU335 4.3 38.9 0.5 NE A:ARG332 4.4 58.0 0.5 NH2 A:ARG332 4.5 43.9 0.5 C A:TRP336 4.5 47.7 0.5 C A:ARG332 4.5 14.9 0.5 O A:CYS310 4.6 21.2 0.5 CA A:ARG332 4.6 16.3 0.5 CA A:ARG332 4.6 16.7 0.5 CD A:ARG332 4.6 46.1 0.5 CE3 A:TRP336 4.7 51.3 0.5 CG A:ARG332 4.7 22.4 0.5 CD2 A:TRP336 4.7 38.0 0.5 CB A:TRP336 4.8 40.6 0.5 CA A:GLN309 4.8 19.2 1.0 NE1 A:TRP336 4.8 39.1 0.5 O A:LEU335 4.8 38.4 0.5 CZ A:ARG332 4.9 43.1 0.5 CB A:LEU335 4.9 39.2 0.5 CG A:LEU335 5.0 40.7 0.5 C A:GLN309 5.0 20.0 1.0

N.M.Pearce, T.Krojer, A.R.Bradley, P.Collins, R.P.Nowak, R.Talon, B.D.Marsden, S.Kelm, J.Shi, C.M.Deane, F.Von Delft. A Multi-Crystal Method For Extracting Obscured Crystallographic States From Conventionally Uninterpretable Electron Density. Nat Commun V. 8 15123 2017.
ISSN: ESSN 2041-1723
PubMed: 28436492
DOI: 10.1038/NCOMMS15123