Magnesium in PDB 5pke: Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99)

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99), PDB code: 5pke 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)	29.37 / 1.44
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.346, 71.346, 150.182, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.4

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99) also contains other interesting chemical elements:

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

The binding sites of Magnesium atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99) (pdb code 5pke). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99), PDB code: 5pke:

Magnesium binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D After Initial Refinement with No Ligand Modelled (Structure 99) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:32.5 occ:1.00 O A:ASN65 2.7 27.7 1.0 N A:GLU68 2.9 16.4 1.0 CB A:GLU68 3.0 24.6 1.0 CA A:GLU68 3.2 17.2 1.0 C A:ILE66 3.4 18.3 1.0 N A:ILE69 3.5 15.0 1.0 CG A:GLU68 3.5 29.7 1.0 CA A:ILE66 3.6 19.4 1.0 C A:GLU68 3.6 16.8 1.0 C A:ASN65 3.6 26.5 1.0 N A:SER67 3.7 19.3 1.0 O A:ILE66 3.7 17.6 1.0 N A:ILE66 4.0 20.8 1.0 C A:SER67 4.1 15.7 1.0 CG1 A:ILE69 4.4 14.9 1.0 CA A:SER67 4.4 17.4 1.0 O A:GLU68 4.5 16.6 1.0 C1 A:EDO408 4.6 49.7 1.0 CA A:ILE69 4.6 14.0 1.0 CD A:GLU68 4.8 33.2 1.0 CA A:ASN65 4.9 31.4 1.0 CB A:ILE66 4.9 22.3 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