Nickel in PDB 5q29: Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000058A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000058A, PDB code: 5q29 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)	56.97 / 1.46
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.832, 56.977, 114.989, 90.00, 90.00, 90.00
R / Rfree (%)	16.9 / 21.7

The structure of Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000058A also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Nickel atom in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000058A (pdb code 5q29). 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 in Complex with FMOPL000058A, PDB code: 5q29:

Nickel binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of DCLRE1A in Complex with FMOPL000058A


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 in Complex with FMOPL000058A within 5.0Å range: probe atom residue distance (Å) B Occ A:Ni1102 b:16.4 occ:1.00 O9 A:MLI1101 2.1 18.8 1.0 O7 A:MLI1101 2.2 17.4 1.0 OD2 A:ASP815 2.2 14.4 1.0 NE2 A:HIS732 2.3 13.9 1.0 ND1 A:HIS734 2.3 15.6 1.0 NE2 A:HIS793 2.4 11.9 1.0 C3 A:MLI1101 3.0 27.4 1.0 C2 A:MLI1101 3.1 22.0 1.0 CD2 A:HIS732 3.2 15.1 1.0 CE1 A:HIS734 3.2 15.3 1.0 CE1 A:HIS793 3.2 11.6 1.0 CG A:ASP815 3.3 13.3 1.0 CE1 A:HIS732 3.3 14.4 1.0 CG A:HIS734 3.4 15.3 1.0 CD2 A:HIS793 3.4 12.1 1.0 C1 A:MLI1101 3.4 27.1 1.0 CB A:ASP815 3.7 11.6 1.0 CB A:HIS734 3.7 15.4 1.0 O8 A:MLI1101 4.2 35.6 1.0 NE2 A:HIS737 4.2 21.1 1.0 O6 A:MLI1101 4.3 23.4 1.0 CD2 A:HIS737 4.3 21.0 1.0 CG A:HIS732 4.3 13.1 1.0 ND1 A:HIS732 4.3 13.9 1.0 NE2 A:HIS734 4.4 15.3 1.0 ND1 A:HIS793 4.4 10.9 1.0 OD1 A:ASP815 4.4 15.8 1.0 CD2 A:HIS734 4.5 14.8 1.0 CG A:HIS793 4.5 10.8 1.0 CE1 A:HIS994 4.7 11.6 1.0 NE2 A:HIS994 4.7 13.2 1.0 O A:HOH1262 4.9 29.1 1.0 O A:HOH1416 5.0 20.3 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.