Nickel in PDB 5q39: Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A After Initial Refinement with No Ligand Modelled (Structure 37)

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A After Initial Refinement with No Ligand Modelled (Structure 37), PDB code: 5q39 was solved by J.A.Newman, H.Aitkenhead, S.Y.Lee, K.Kupinska, N.Burgess-Brown, R.Tallon, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.77 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.729, 57.067, 115.080, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 22.1

The binding sites of Nickel atom in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A After Initial Refinement with No Ligand Modelled (Structure 37) (pdb code 5q39). This binding sites where shown within 5.0 Angstroms radius around Nickel atom.
In total only one binding site of Nickel was determined in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A After Initial Refinement with No Ligand Modelled (Structure 37), PDB code: 5q39:

Nickel binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A After Initial Refinement with No Ligand Modelled (Structure 37)


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A After Initial Refinement with No Ligand Modelled (Structure 37) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1102 b:16.7 occ:1.00 O7 A:MLI1101 2.0 21.3 1.0 O8 A:MLI1101 2.1 17.8 1.0 OD2 A:ASP815 2.2 19.0 1.0 ND1 A:HIS734 2.2 16.9 1.0 NE2 A:HIS793 2.2 11.1 1.0 NE2 A:HIS732 2.2 16.4 1.0 C3 A:MLI1101 3.0 25.8 1.0 C2 A:MLI1101 3.0 23.4 1.0 CE1 A:HIS734 3.1 18.1 1.0 CE1 A:HIS793 3.1 11.4 1.0 CD2 A:HIS732 3.1 15.2 1.0 CE1 A:HIS732 3.2 15.7 1.0 CG A:ASP815 3.3 16.4 1.0 CG A:HIS734 3.3 17.1 1.0 CD2 A:HIS793 3.3 13.2 1.0 C1 A:MLI1101 3.3 27.7 1.0 CB A:ASP815 3.7 12.8 1.0 CB A:HIS734 3.7 18.0 1.0 O9 A:MLI1101 4.1 27.7 1.0 O6 A:MLI1101 4.2 24.6 1.0 NE2 A:HIS734 4.2 18.8 1.0 ND1 A:HIS793 4.2 11.2 1.0 NE2 A:HIS737 4.2 20.7 1.0 CG A:HIS732 4.3 13.5 1.0 ND1 A:HIS732 4.3 15.4 1.0 CD2 A:HIS737 4.3 19.7 1.0 OD1 A:ASP815 4.3 17.3 1.0 CD2 A:HIS734 4.4 17.5 1.0 CG A:HIS793 4.4 10.5 1.0 CE1 A:HIS994 4.6 14.0 1.0 NE2 A:HIS994 4.7 15.1 1.0 O A:HOH1418 4.9 21.0 1.0 O A:HOH1218 4.9 25.9 1.0

J.A.Newman, H.Aitkenhead, S.Y.Lee, K.Kupinska, N.Burgess-Brown, R.Tallon, T.Krojer, F.Von Delft, C.H.Arrowsmith, A.Edwards, C.Bountra, O.Gileadi. Pandda Analysis Group Deposition To Be Published.