Nickel in PDB 5ff5: Crystal Structure of Semet Paaa

The structure of Crystal Structure of Semet Paaa, PDB code: 5ff5 was solved by K.B.Biernat, M.R.Redinbo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.48 / 2.93
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	68.962, 170.409, 64.323, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 28.9

The binding sites of Nickel atom in the Crystal Structure of Semet Paaa (pdb code 5ff5). 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 Crystal Structure of Semet Paaa, PDB code: 5ff5:

Nickel binding site 1 out of 1 in the Crystal Structure of Semet Paaa


Mono view


Stereo pair view

A full contact list of Nickel with other atoms in the Ni binding site number 1 of Crystal Structure of Semet Paaa within 5.0Å range: probe atom residue distance (Å) B Occ B:Ni403 b:0.9 occ:1.00 OD1 B:ASP166 3.1 56.6 1.0 OE2 B:GLU168 3.2 86.7 1.0 OD1 B:ASP165 3.7 68.9 1.0 CG B:ASP166 4.3 50.7 1.0 CD B:GLU168 4.4 76.7 1.0 CG B:ASP165 4.4 57.9 1.0 O2 A:SO4402 4.5 72.1 0.8 N B:ASP166 4.5 54.4 1.0 O B:ASP166 4.8 51.1 1.0 CB B:ASP165 4.9 57.7 1.0 OD2 B:ASP166 5.0 67.3 1.0 CA B:ASP165 5.0 55.9 1.0 CG B:GLU168 5.0 57.5 1.0

S.V.Ghodge, K.A.Biernat, S.J.Bassett, M.R.Redinbo, A.A.Bowers. Post-Translational Claisen Condensation and Decarboxylation En Route to the Bicyclic Core of Pantocin A. J.Am.Chem.Soc. V. 138 5487 2016.
ISSN: ESSN 1520-5126
PubMed: 27088303
DOI: 10.1021/JACS.5B13529